Geometry & MOs

Info

ID:

186335

PubChem CID:

77421794

Reduced:

N3O3C11H13 (1)

Stoich.:

A3B3C11D13 (1)

Weight, g/mol:

592.288341

ΔHf, kcal/mol:

-68.93

Dipole, Da:

1.7

IP(EA), eV:

-9.36(-0.78)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[4-[[6-(2,2-dimethylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-[3-fluoro-5-(1,3-thiazol-2-yl)phenyl]-3-hydroxybutan-2-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

C1CC(OC1CO)C2=COC3=C2N=CN=C3N

DOS

IR

Vibrations