Geometry & MOs

Info

ID:	57487
PubChem CID:	22396033
Reduced:	SCl2N2O7C23H26 (1)
Stoich.:	AB2C2D7E23F26 (1)
Weight, g/mol:	493.993998
ΔH_f, kcal/mol:	-246.04
Dipole, Da:	5.32
IP(EA), eV:	-9.4(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(4,5-dichlorothiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid

Drug info:

PubChemData

Smile

COCC(C(=O)C1CCCN1S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)OC3=CC=C(C=C3)CC(C(=O)O)N

DOS

IR

Vibrations