Geometry & MOs

Info

ID:	427401
PubChem CID:	135158354
Reduced:	NSH23C24 (1)
Stoich.:	ABC23D24 (1)
Weight, g/mol:	401.195071
ΔH_f, kcal/mol:	107.25
Dipole, Da:	6.26
IP(EA), eV:	-7.45(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1-acetylpyrrolidin-2-yl)oxycarbonylamino]-2-(1H-indol-3-yl)hexanoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1SC(=C)/C=C/C(=C2C=CN(C=C2)C)C3=CC=CC=C3

DOS

IR

Vibrations