Geometry & MOs

Info

ID:

191067

PubChem CID:

78101261

Reduced:

O2N3H36C38 (1)

Stoich.:

A2B3C36D38 (1)

Weight, g/mol:

447.143962

ΔHf, kcal/mol:

56.97

Dipole, Da:

2.98

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.325732

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(10-amino-8-methyl-6,6-dioxo-2-oxa-6lambda6-thia-9-azaspiro[4.5]dec-9-en-8-yl)-4-fluorophenyl]-2,2-difluoro-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=CC2=[N+](C3=C(O2)C=CC4=C3C=NC=C4)C(C)C)C=C5N(C6=C(O5)C=CC7=CC=CC=C76)C(C)C)C

DOS

IR

Vibrations