Geometry & MOs

Info

ID:	57454
PubChem CID:	22395958
Reduced:	ClFSN2O5C20H20 (1)
Stoich.:	ABCD2E5F20G20 (1)
Weight, g/mol:	633.110327
ΔH_f, kcal/mol:	-221.55
Dipole, Da:	8.96
IP(EA), eV:	-9.46(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(3,5-dichlorophenyl)sulfonyl-2-methylpyrrolidine-2-carbonyl]amino]-3-[4-[methyl(phenyl)carbamoyl]oxyphenyl]propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations