Geometry & MOs

Info

ID:

325254

PubChem CID:

126682306

Reduced:

BrOSF2N2C12H13 (1)

Stoich.:

ABCD2E2F12G13 (1)

Weight, g/mol:

538.264314

ΔHf, kcal/mol:

-107.96

Dipole, Da:

3.24

IP(EA), eV:

 -9.58(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R)-1-[(4R,5R,6R)-5-fluoro-4-(2-fluorophenyl)-2-[(2-methoxy-4-methylphenyl)methyl-[(4-methoxy-2-methylphenyl)methyl]amino]-4-methyl-5,6-dihydro-1,3-oxazin-6-yl]ethanol

Drug info:

PubChemData

Smile

CC1=N[C@]([C@H]([C@H](S1)CO)F)(C)C2=C(C=CC(=N2)Br)F

DOS

IR

Vibrations