Geometry & MOs

Info

ID:	380794
PubChem CID:	134971355
Reduced:	SiO12C39H54 (1)
Stoich.:	AB12C39D54 (1)
Weight, g/mol:	373.97246
ΔH_f, kcal/mol:	-516.21
Dipole, Da:	2.76
IP(EA), eV:	-9.18(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-3-(bromomethyl)indole-2-carbonitrile

Drug info:

PubChemData

Smile

CC1[C@H]([C@@H](C[C@H](O1)O[C@H]2[C@@H](C=COC2C)OCOCC[Si](C)(C)C)OC)O[C@H]3C[C@H]([C@@H](C(O3)C)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations