Geometry & MOs

Info

ID:	139511
PubChem CID:	52544532
Reduced:	N3O4H21C22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	422.166414
ΔH_f, kcal/mol:	-95.85
Dipole, Da:	4.45
IP(EA), eV:	-8.48(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[benzyl-[3-(4-methylphenyl)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC2=CC=C(C=C2)NC(=O)/C=C/C3=CN(C(=O)N(C3=O)C)C

DOS

IR

Vibrations