Geometry & MOs

Info

ID:	330528
PubChem CID:	127247935
Reduced:	SN3O4C14H25 (1)
Stoich.:	AB3C4D14E25 (1)
Weight, g/mol:	333.168856
ΔH_f, kcal/mol:	-187.25
Dipole, Da:	6.04
IP(EA), eV:	-9.57(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-acetyl-6-(methylcarbamoyl)-1,4-diazepan-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC(C1)C(=O)NC)S(=O)(=O)C2CCCC2

DOS

IR

Vibrations