Geometry & MOs

Info

ID:

176073

PubChem CID:

75992108

Reduced:

N3O5C26H27 (1)

Stoich.:

A3B5C26D27 (1)

Weight, g/mol:

531.160577

ΔHf, kcal/mol:

-113.88

Dipole, Da:

9.74

IP(EA), eV:

 -9.35(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[2-(2,4-difluorophenyl)ethoxyiminomethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

Drug info:

PubChemData

Smile

CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)CC=NOC(C)(C)C)O

DOS

IR

Vibrations