Geometry & MOs

Info

ID:	62793
PubChem CID:	26736829
Reduced:	FNSO2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	377.12949
ΔH_f, kcal/mol:	-74.54
Dipole, Da:	4.13
IP(EA), eV:	-8.87(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-N-cyclopropylprop-2-enamide

Drug info:

PubChemData

Smile

COCC1=C(SC2=CC=CC(=C21)F)C(=O)NC3CC3

DOS

IR

Vibrations