Geometry & MOs

Info

ID:	345678
PubChem CID:	127269978
Reduced:	SN3O4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	-156.87
Dipole, Da:	10.59
IP(EA), eV:	-9.3(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]cycloheptanecarboxamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

DOS

IR

Vibrations