Geometry & MOs

Info

ID:	383087
PubChem CID:	134974607
Reduced:	ClNSSiO3C41H59 (1)
Stoich.:	ABCDE3F41G59 (1)
Weight, g/mol:	483.06953
ΔH_f, kcal/mol:	-149.97
Dipole, Da:	2.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760163
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-(2-iodoethyl)-6-phenylmethoxyindol-2-ol

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)OC1CCC2(CC1C(C([NH2+]2)CC3=CC=C(C=C3)OC)OCC4=CC=CC=C4)CC(CCl)SC5=CC=CC=C5

DOS

IR

Vibrations