Geometry & MOs

Info

ID:	57457
PubChem CID:	22395968
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	559.124706
ΔH_f, kcal/mol:	-89.25
Dipole, Da:	11.4
IP(EA), eV:	-9.53(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-[1-[5-(benzamidomethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carbonyl]-4-fluoroanilino)propanoic acid

Drug info:

PubChemData

Smile

CC1(CCCN1)C(=O)NC(CC2=CN(C=N2)CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations