Geometry & MOs

Info

ID:	70878
PubChem CID:	48413989
Reduced:	O2N5H21C22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	396.102289
ΔH_f, kcal/mol:	44.63
Dipole, Da:	4.84
IP(EA), eV:	-8.73(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-piperidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CN(N=C2C3=CC(=CC=C3)OC)C4=CC=CC=C4

DOS

IR

Vibrations