Geometry & MOs

Info

ID:	151723
PubChem CID:	56269950
Reduced:	SO2N4C23H28 (1)
Stoich.:	AB2C4D23E28 (1)
Weight, g/mol:	476.07693
ΔH_f, kcal/mol:	-0.84
Dipole, Da:	2.29
IP(EA), eV:	-8.62(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-(4-bromophenyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)N1CCCN(CC1)C(=O)C2=C(C3=CC=CC=C3O2)CSC4=NC=CC=N4

DOS

IR

Vibrations