Geometry & MOs

Info

ID:	432297
PubChem CID:	135172430
Reduced:	SN3O5H13C14 (1)
Stoich.:	AB3C5D13E14 (1)
Weight, g/mol:	343.116821
ΔH_f, kcal/mol:	-150.72
Dipole, Da:	8.22
IP(EA), eV:	-9.74(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-formyl-N-methyl-N-(2,4,7-trioxo-6-prop-2-enyl-1,3-diazepan-5-yl)benzamide

Drug info:

PubChemData

Smile

CC1(C=CC=C2C(=C1)S(=O)(=O)N(C2=O)C3=CNC(=O)NC3=O)C

DOS

IR

Vibrations