Geometry & MOs

Info

ID:	133112
PubChem CID:	51478401
Reduced:	FSN4O4C18H21 (1)
Stoich.:	ABC4D4E18F21 (1)
Weight, g/mol:	395.148121
ΔH_f, kcal/mol:	-151.18
Dipole, Da:	5.68
IP(EA), eV:	-9.6(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=CC=C1CNC(=O)NNC(=O)CC2=CC=C(C=C2)F

DOS

IR

Vibrations