Geometry & MOs

Info

ID:	234382
PubChem CID:	92298301
Reduced:	SN5O5C27H33 (1)
Stoich.:	AB5C5D27E33 (1)
Weight, g/mol:	539.183855
ΔH_f, kcal/mol:	-151.63
Dipole, Da:	6.65
IP(EA), eV:	-8.32(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-N-(1,3-benzodioxol-5-yl)-5-N-[(1S)-1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide

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

CCC(C)(C)NC(=O)[C@H](C1=CC=C(C=C1)OC)N(C2=CC=C(C=C2)OCC)C(=O)C3=C(C(=NS3)C(=O)N)N

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

CCC(C)(C)NC(=O)[C@H](C1=CC=C(C=C1)OC)N(C2=CC=C(C=C2)OCC)C(=O)C3=C(C(=NS3)C(=O)N)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):