Geometry & MOs

Info

ID:	57455
PubChem CID:	22395961
Reduced:	SCl2N3O7C29H29 (1)
Stoich.:	AB2C3D7E29F29 (1)
Weight, g/mol:	484.062648
ΔH_f, kcal/mol:	-242.28
Dipole, Da:	9.26
IP(EA), eV:	-9.14(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-4-phenylbutanoic acid

Drug info:

PubChemData

Smile

CC1(CCCN1S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)NC(CC3=CC=C(C=C3)OC(=O)N(C)C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations