Geometry & MOs

Info

ID:	345677
PubChem CID:	127269977
Reduced:	SO3N4C19H26 (1)
Stoich.:	AB3C4D19E26 (1)
Weight, g/mol:	379.156577
ΔH_f, kcal/mol:	-102.64
Dipole, Da:	6.63
IP(EA), eV:	-9.04(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]cycloheptanecarboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1)SC2=C(C=CC=N2)C(=O)NC3CCCCNC3=O

DOS

IR

Vibrations