Geometry & MOs

Info

ID:

328486

PubChem CID:

126723240

Reduced:

NH13C17 (3)

Stoich.:

AB13C17 (3)

Weight, g/mol:

312.120687

ΔHf, kcal/mol:

198.61

Dipole, Da:

2.62

IP(EA), eV:

 -7.87(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-1,1-difluoro-3-sulfanyloxy-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)N3C4=CC=CC=C4C5=CC=CC=C53)C6=C1C=C(C=C6)N(C7=CC=CC=C7)C8=CC=CC(=C8)C9=CC=C(C=C9)NC1=CC=CC=C1)C

DOS

IR

Vibrations