Geometry & MOs

Info

ID:	44765
PubChem CID:	10505837
Reduced:	N3C15H32 (2)
Stoich.:	A3B15C32 (2)
Weight, g/mol:	508.114746
ΔH_f, kcal/mol:	-70.36
Dipole, Da:	5.92
IP(EA), eV:	-8.47(2.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-3-[[2-[(E)-2-(2-chloropyridin-3-yl)ethenyl]-1,3-dioxan-5-yl]sulfanyl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol

Drug info:

PubChemData

Smile

C1CNCN(C1)CCCNCCCCCCCCCCCCCCCCNCCCN2CCCNC2

DOS

IR

Vibrations