Geometry & MOs

Info

ID:	133523
PubChem CID:	51539165
Reduced:	SO2N3C25H36 (1)
Stoich.:	AB2C3D25E36 (1)
Weight, g/mol:	373.06774
ΔH_f, kcal/mol:	-19.85
Dipole, Da:	4.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.057429
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[(2-bromo-5-ethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one

Drug info:

PubChemData

Smile

CN1CCC(CC1)[NH+](C)CC2=CC=C(C=C2)OC3CCN(CC3)C(=O)CC4=CSC=C4

DOS

IR

Vibrations