Geometry & MOs

Info

ID:	57434
PubChem CID:	22395920
Reduced:	FSN2O5C26H27 (1)
Stoich.:	ABC2D5E26F27 (1)
Weight, g/mol:	600.204256
ΔH_f, kcal/mol:	-212.43
Dipole, Da:	8.63
IP(EA), eV:	-8.8(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[4-(benzylcarbamoylamino)phenyl]sulfonylpyrrolidine-2-carbonyl]amino]-3-naphthalen-2-ylpropanoic acid

Drug info:

PubChemData

Smile

CC1(CCC(N1S(=O)(=O)C2=CC=CC(=C2)F)C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)O)C

DOS

IR

Vibrations