Geometry & MOs

Info

ID:

418968

PubChem CID:

135107233

Reduced:

N3O4C21H27 (1)

Stoich.:

A3B4C21D27 (1)

Weight, g/mol:

597.246645

ΔHf, kcal/mol:

-114.87

Dipole, Da:

3.36

IP(EA), eV:

 -8.38(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,11S)-9-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-17-methyl-1,4,5,6,9,14,17-heptazatetracyclo[17.3.1.13,6.07,11]tetracosa-3(24),4,19,21-tetraene-13,18,23-trione

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(=O)N2CCC3(CC2)C4=CC(=C(C=C4CCO3)OC)OC

DOS

IR

Vibrations