Geometry & MOs

Info

ID:

187748

PubChem CID:

77619003

Reduced:

N11C19H31 (1)

Stoich.:

A11B19C31 (1)

Weight, g/mol:

410.131171

ΔHf, kcal/mol:

64.91

Dipole, Da:

4.21

IP(EA), eV:

-8.21(-0.02)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[[3-[4-(3,3-dihydroxy-3lambda4-thiabicyclo[3.1.0]hexan-6-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

C1C(CN(CC1N)C2=NC(=NC(=N2)NC3=CC=C(C=C3)N)N4CC(CC4CN)N)N

DOS

IR

Vibrations