Geometry & MOs

Info

ID:	222930
PubChem CID:	85333210
Reduced:	SN4O7C33H42 (1)
Stoich.:	AB4C7D33E42 (1)
Weight, g/mol:	643.252098
ΔH_f, kcal/mol:	-257.27
Dipole, Da:	5.79
IP(EA), eV:	-9.09(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-amino-1-[5-(2,4-dioxo-1,3-diazinan-1-yl)-3-methoxy-4-trimethylsilyloxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(2-oxoazepan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide

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

CCCCS(=O)(=O)CC(C(=O)NC(CC1=CC=CC=C1)C(C(C(C)C(=O)NCC2=CC=CC=C2)O)O)NC(=O)C3=CC=CC=N3

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

CCCCS(=O)(=O)CC(C(=O)NC(CC1=CC=CC=C1)C(C(C(C)C(=O)NCC2=CC=CC=C2)O)O)NC(=O)C3=CC=CC=N3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):