Geometry & MOs

Info

ID:	133113
PubChem CID:	51478759
Reduced:	N3O5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	418.085098
ΔH_f, kcal/mol:	-88.99
Dipole, Da:	7.85
IP(EA), eV:	-8.38(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCCC2=CNC3=CC=CC=C32

DOS

IR

Vibrations