Geometry & MOs

Info

ID:	66508
PubChem CID:	46504705
Reduced:	BrClNOH9C15 (1)
Stoich.:	ABCDE9F15 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	20.5
Dipole, Da:	2.16
IP(EA), eV:	-9.06(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[1-(3-acetylanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C\2/C3=C(C=CC(=C3)Br)NC2=O)Cl

DOS

IR

Vibrations