Geometry & MOs

Info

ID:	219883
PubChem CID:	85165005
Reduced:	NSSiO6C33H45 (1)
Stoich.:	ABCD6E33F45 (1)
Weight, g/mol:	620.307081
ΔH_f, kcal/mol:	-270.19
Dipole, Da:	6.56
IP(EA), eV:	-8.73(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]-2-[[4-[(2-methyl-4-oxo-1,2,3,4a,5,5a,6,7,8,8a,9,9a-dodecahydrocyclopenta[g]quinazolin-6-yl)-prop-2-ynylamino]benzoyl]amino]butanoate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOC(=O)C(N1C(C(C1=O)C(C)O[Si](C)(C)C(C)(C)C)C(C)C=CCOC(=O)C2=CC=CC=C2)SC3=CC=CC=C3

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOC(=O)C(N1C(C(C1=O)C(C)O[Si](C)(C)C(C)(C)C)C(C)C=CCOC(=O)C2=CC=CC=C2)SC3=CC=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):