Geometry & MOs

Info

ID:

79906

PubChem CID:

49831240

Reduced:

N2O3C23H30 (1)

Stoich.:

A2B3C23D30 (1)

Weight, g/mol:

895.45718

ΔHf, kcal/mol:

-126.22

Dipole, Da:

5.96

IP(EA), eV:

 -9.34(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol;(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid

Drug info:

PubChemData

Smile

CCN(C1=CC(=CC(=C1)C(=O)N[C@@H](C)CO)C2=CC=C(C=C2)C)C(=O)C(C)C

DOS

IR

Vibrations