Geometry & MOs

Info

ID:

44441

PubChem CID:

10503597

Reduced:

NO5C27H29 (1)

Stoich.:

AB5C27D29 (1)

Weight, g/mol:

447.116341

ΔHf, kcal/mol:

-105.99

Dipole, Da:

2.22

IP(EA), eV:

 -8.24(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(8R,9S,13S,14S,16R,17R)-16-(18F)fluoranyl-13-methyl-3-sulfamoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] sulfamate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@@H]2CC3=CC(=C(C=C3CN2[C@H](C=O)C4=CC=CC=C4)OC)OC)OC

DOS

IR

Vibrations