Geometry & MOs

Info

ID:

378968

PubChem CID:

134228601

Reduced:

O2F4N5C16H17 (1)

Stoich.:

A2B4C5D16E17 (1)

Weight, g/mol:

603.309307

ΔHf, kcal/mol:

-228.09

Dipole, Da:

6.66

IP(EA), eV:

 -8.73(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[(7R,8aS)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]-2-fluoro-N-[N-[2-fluoro-4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]-5-(4-methyl-5-oxotetrazol-1-yl)phenyl]-N'-methylcarbamimidoyl]prop-2-enimidamide

Drug info:

PubChemData

Smile

C1CNCC(C1OC2=C(C=C(C=C2)NC3=NC=C(C(=N3)N)F)C(F)(F)F)O

DOS

IR

Vibrations