Geometry & MOs

Info

ID:	139725
PubChem CID:	52585167
Reduced:	NSO7C21H25 (1)
Stoich.:	ABC7D21E25 (1)
Weight, g/mol:	436.166604
ΔH_f, kcal/mol:	-246.03
Dipole, Da:	4.65
IP(EA), eV:	-9.3(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(cyclohexanecarbonylamino)benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=C(C=CC=C3C)C

DOS

IR

Vibrations