Geometry & MOs

Info

ID:	370809
PubChem CID:	127340624
Reduced:	SO2N3C20H31 (1)
Stoich.:	AB2C3D20E31 (1)
Weight, g/mol:	378.197714
ΔH_f, kcal/mol:	-84.3
Dipole, Da:	1.28
IP(EA), eV:	-8.62(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyclopentyl-1,4-diazepan-1-yl)-3-(4-methylphenyl)sulfonylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCN(CC1)C2CCCC2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations