Geometry & MOs

Info

ID:

427145

PubChem CID:

135155716

Reduced:

O2N3C27H33 (1)

Stoich.:

A2B3C27D33 (1)

Weight, g/mol:

590.234076

ΔHf, kcal/mol:

-28.53

Dipole, Da:

2.77

IP(EA), eV:

 -8.09(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[3-[(7S)-1-carbamoyl-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazol-4-yl]-2-methylphenyl]carbamoyl]-6-fluorophenyl]methyl carbamate

Drug info:

PubChemData

Smile

CC1(CC2=C(N1)C3=CC(=C(C=C3N=C2C4=CC=CC=C4)OCCCN5CCCC5)OC)C

DOS

IR

Vibrations