Geometry & MOs

Info

ID:	50846
PubChem CID:	12013435
Reduced:	OSiN2C30H40 (1)
Stoich.:	ABC2D30E40 (1)
Weight, g/mol:	456.150764
ΔH_f, kcal/mol:	-49.69
Dipole, Da:	3.86
IP(EA), eV:	-8.15(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(benzenesulfonyl)indol-3-yl]-3-(2-methyl-1H-indol-3-yl)butan-1-one

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C(C)CC(=O)C3=CN(C4=CC=CC=C43)[Si](C(C)C)(C(C)C)C(C)C

DOS

IR

Vibrations