Geometry & MOs

Info

ID:	57482
PubChem CID:	22396024
Reduced:	SF4N4O6H28C29 (1)
Stoich.:	AB4C4D6E28F29 (1)
Weight, g/mol:	402.124943
ΔH_f, kcal/mol:	-401.55
Dipole, Da:	10.91
IP(EA), eV:	-8.78(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC1(CCCN1S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NC(CC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)F)C(=O)O

DOS

IR

Vibrations