Geometry & MOs

Info

ID:	155956
PubChem CID:	56368480
Reduced:	OCl2N5C19H21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	444.161997
ΔH_f, kcal/mol:	27.09
Dipole, Da:	4.47
IP(EA), eV:	-8.63(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(acetamidomethyl)-N-[2-benzyl-5-(2-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)NC2=NNC(=C2)C(C)(C)C)Cl)CC3=CC=CC=C3Cl

DOS

IR

Vibrations