Geometry & MOs

Info

ID:	129038
PubChem CID:	51067732
Reduced:	ClSO2N4C21H25 (1)
Stoich.:	ABC2D4E21F25 (1)
Weight, g/mol:	576.230347
ΔH_f, kcal/mol:	-31.31
Dipole, Da:	1.34
IP(EA), eV:	-8.88(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)N(C)CC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations