Geometry & MOs

Info

ID:	320830
PubChem CID:	126663799
Reduced:	NF3H8C9 (1)
Stoich.:	AB3C8D9 (1)
Weight, g/mol:	481.085219
ΔH_f, kcal/mol:	-121.61
Dipole, Da:	6.05
IP(EA), eV:	-9.86(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,9R,11S)-14-chloro-15-[(2,2-difluoroethylamino)methyl]-5,17-dihydroxy-7,19-dioxo-3-oxa-8-azapentacyclo[9.8.0.02,4.04,9.013,18]nonadeca-1,5,13,15,17-pentaene-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C(C1)C#N)C(F)(F)F

DOS

IR

Vibrations