Geometry & MOs

Info

ID:	330550
PubChem CID:	127247957
Reduced:	SN3O3C16H25 (1)
Stoich.:	AB3C3D16E25 (1)
Weight, g/mol:	342.136176
ΔH_f, kcal/mol:	-109.68
Dipole, Da:	5.73
IP(EA), eV:	-9.09(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2CCN(CC(C2)C(=O)NC)S(=O)(=O)C

DOS

IR

Vibrations