Geometry & MOs

Info

ID:	61423
PubChem CID:	26709149
Reduced:	FO2N5C22H24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	425.177313
ΔH_f, kcal/mol:	-17.49
Dipole, Da:	4.26
IP(EA), eV:	-8.15(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyanophenyl)sulfonyl-N-[(1S)-1-phenylbutyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC3=NC(=NO3)C4=CC=C(C=C4)F

DOS

IR

Vibrations