Geometry & MOs

Info

ID:	437189
PubChem CID:	135215617
Reduced:	SO3N4C18H26 (1)
Stoich.:	AB3C4D18E26 (1)
Weight, g/mol:	461.174916
ΔH_f, kcal/mol:	-87.28
Dipole, Da:	2.86
IP(EA), eV:	-8.95(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-5-[5-(5,6-dichlorobenzimidazol-1-yl)hexan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CC1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N3C)CC4CCNCC4

DOS

IR

Vibrations