Geometry & MOs

Info

ID:	57448
PubChem CID:	22395945
Reduced:	SCl2N2O5C18H24 (1)
Stoich.:	AB2C2D5E18F24 (1)
Weight, g/mol:	671.97495
ΔH_f, kcal/mol:	-218.99
Dipole, Da:	7.8
IP(EA), eV:	-9.79(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(3,5-dichlorophenyl)sulfonyl-3-phenylpyrrolidine-2-carbonyl]amino]-3-(4-iodophenyl)propanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O)N(C)C(=O)C1CCCN1S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations