Geometry & MOs

Info

ID:	57420
PubChem CID:	22395874
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	530.118144
ΔH_f, kcal/mol:	-161.33
Dipole, Da:	2.57
IP(EA), eV:	-9.2(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(3,4-dimethoxyphenyl)sulfonyl-1,3-thiazolidine-2-carbonyl]amino]-3-naphthalen-2-ylpropanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)NC1=CC=CC=C1CC(C(=O)O)N

DOS

IR

Vibrations