Geometry & MOs

Info

ID:	156265
PubChem CID:	56369873
Reduced:	ClN4O4C21H21 (1)
Stoich.:	AB4C4D21E21 (1)
Weight, g/mol:	434.141262
ΔH_f, kcal/mol:	-64.15
Dipole, Da:	2.84
IP(EA), eV:	-8.42(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NCC(=O)NNC(=O)C2=CC(=C(C=C2OC)N3C=CC=C3)Cl

DOS

IR

Vibrations