Geometry & MOs

Info

ID:	170151
PubChem CID:	75205077
Reduced:	ClNOH9C10 (2)
Stoich.:	ABCD9E10 (2)
Weight, g/mol:	403.135448
ΔH_f, kcal/mol:	-23.95
Dipole, Da:	2.52
IP(EA), eV:	-9.74(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxoprop-1-enyl]benzamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC=C(C=C2)C=CC(=O)NCC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations