Geometry & MOs

Info

ID:	170173
PubChem CID:	75205099
Reduced:	O2N3H23C25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	437.096476
ΔH_f, kcal/mol:	23.75
Dipole, Da:	3.6
IP(EA), eV:	-8.85(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC=C(C=C2)C=CC(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4

DOS

IR

Vibrations