Geometry & MOs

Info

ID:	175297
PubChem CID:	75880605
Reduced:	ClO2N4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	452.188212
ΔH_f, kcal/mol:	-16.0
Dipole, Da:	3.17
IP(EA), eV:	-9.25(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NCC1=CC=C(C=C1)N2C=CC=N2)NC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations