Geometry & MOs

Info

ID:	57493
PubChem CID:	22396062
Reduced:	SF3N3O6C30H30 (1)
Stoich.:	AB3C3D6E30F30 (1)
Weight, g/mol:	494.955089
ΔH_f, kcal/mol:	-356.1
Dipole, Da:	3.84
IP(EA), eV:	-8.8(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(4,5-dichlorothiophen-2-yl)sulfonyl-1,3-thiazolidine-2-carbonyl]amino]-3-pyridin-4-ylpropanoic acid

Drug info:

PubChemData

Smile

CC1(CCCN1S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NC(CC3=CC=C(C=C3)NC(=O)CC4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations