Geometry & MOs

Info

ID:

170977

PubChem CID:

75307483

Reduced:

N8O10C39H48 (1)

Stoich.:

A8B10C39D48 (1)

Weight, g/mol:

660.1325

ΔHf, kcal/mol:

-312.23

Dipole, Da:

4.1

IP(EA), eV:

 -8.65(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(4-bromophenyl)-3-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfonyl-5-nitro-6-phenylpiperidin-2-ol

Drug info:

PubChemData

Smile

CC(C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC5=C(C=C4)C(=NO5)NC(=O)C6CCCN6C(=O)C(C(C)OC)NC(=O)OC)NC(=O)OC)OC

DOS

IR

Vibrations