Geometry & MOs

Info

ID:	39770
PubChem CID:	8142218
Reduced:	SN2O4C22H22 (1)
Stoich.:	AB2C4D22E22 (1)
Weight, g/mol:	408.150764
ΔH_f, kcal/mol:	-72.68
Dipole, Da:	4.95
IP(EA), eV:	-9.02(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-2-[(4-methylbenzoyl)-(2-phenylethyl)amino]-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=N1)N(CCC2=CC=CC=C2)C(=O)/C=C/C3=CC=CO3)C

DOS

IR

Vibrations