Geometry & MOs

Info

ID:	139512
PubChem CID:	52544801
Reduced:	SN2O3C24H26 (1)
Stoich.:	AB2C3D24E26 (1)
Weight, g/mol:	470.1334
ΔH_f, kcal/mol:	-80.86
Dipole, Da:	1.16
IP(EA), eV:	-9.08(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(S1)N(CC2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)C)C

DOS

IR

Vibrations