Geometry & MOs

Info

ID:	370813
PubChem CID:	127340640
Reduced:	SO2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	391.192963
ΔH_f, kcal/mol:	-68.98
Dipole, Da:	3.02
IP(EA), eV:	-8.81(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-cyclopentyl-1,4-diazepane-1-carbonyl)-N-cyclopropylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCCN(CC3)C4CCCC4)C

DOS

IR

Vibrations