Geometry & MOs

Info

ID:	189463
PubChem CID:	77861423
Reduced:	SO7N8C17H22 (1)
Stoich.:	AB7C8D17E22 (1)
Weight, g/mol:	395.042336
ΔH_f, kcal/mol:	-176.49
Dipole, Da:	7.29
IP(EA), eV:	-9.35(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dioxopyrrol-1-yl)-4-oxo-3-(phenylmethoxycarbonylamino)azetidine-1-sulfonic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1CNNC1S(=O)(=O)N(C2=NC=CC=N2)C(=O)NC3=NC(=CC(=N3)OC)OC

DOS

IR

Vibrations