Geometry & MOs

Info

ID:	61366
PubChem CID:	26708619
Reduced:	O2S2N5H21C23 (1)
Stoich.:	A2B2C5D21E23 (1)
Weight, g/mol:	455.187878
ΔH_f, kcal/mol:	57.34
Dipole, Da:	7.51
IP(EA), eV:	-8.7(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyanophenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NCC1=CC=C(S1)C2=CSC(=N2)NC(=O)/C=C/C3=CN(N=C3)CC4=CC=CC=C4

DOS

IR

Vibrations