Geometry & MOs

Info

ID:	393638
PubChem CID:	135021327
Reduced:	BrNSO3H16C19 (1)
Stoich.:	ABCD3E16F19 (1)
Weight, g/mol:	328.142307
ΔH_f, kcal/mol:	-40.67
Dipole, Da:	8.15
IP(EA), eV:	-9.11(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2C(=O)C3=CC=CC(=C3Br)C

DOS

IR

Vibrations