Geometry & MOs

Info

ID:	236864
PubChem CID:	92715156
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	430.065714
ΔH_f, kcal/mol:	-67.21
Dipole, Da:	2.67
IP(EA), eV:	-8.98(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl (2S)-2-(4-nitrophenyl)sulfanylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)CC2=CC(=O)N3C(=CSC3=N2)C4=CC=CC=C4

DOS

IR

Vibrations