Geometry & MOs

Info

ID:	330551
PubChem CID:	127247958
Reduced:	SN4O4C14H22 (1)
Stoich.:	AB4C4D14E22 (1)
Weight, g/mol:	343.131425
ΔH_f, kcal/mol:	-146.0
Dipole, Da:	2.33
IP(EA), eV:	-8.94(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(1-methylimidazole-2-carbonyl)-4-methylsulfonyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CN(CCN(C1)S(=O)(=O)C)C(=O)C2=CC=CN2C

DOS

IR

Vibrations