Geometry & MOs

Info

ID:	157898
PubChem CID:	56458853
Reduced:	SN2O8C16H22 (1)
Stoich.:	AB2C8D16E22 (1)
Weight, g/mol:	400.145678
ΔH_f, kcal/mol:	-303.79
Dipole, Da:	0.78
IP(EA), eV:	-9.96(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-3-(3-propoxybenzoyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

COCCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N(CC(=O)OC)CC(=O)OC

DOS

IR

Vibrations