Geometry & MOs

Info

ID:	10307
PubChem CID:	100107
Reduced:	NO2H11C13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	426.157957
ΔH_f, kcal/mol:	-87.02
Dipole, Da:	4.67
IP(EA), eV:	-8.88(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O

DOS

IR

Vibrations