Geometry & MOs

Info

ID:	57491
PubChem CID:	22396044
Reduced:	SCl2I2N2O6H18C20 (1)
Stoich.:	AB2C2D2E6F18G20 (1)
Weight, g/mol:	425.987769
ΔH_f, kcal/mol:	-194.16
Dipole, Da:	3.52
IP(EA), eV:	-9.16(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)NC(CC3=CC(=C(C(=C3)I)O)I)C(=O)O

DOS

IR

Vibrations