Geometry & MOs

Info

ID:

325255

PubChem CID:

126682313

Reduced:

F2N2O4C31H36 (1)

Stoich.:

A2B2C4D31E36 (1)

Weight, g/mol:

538.264314

ΔHf, kcal/mol:

-199.08

Dipole, Da:

3.06

IP(EA), eV:

 -8.49(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S)-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=CC(=C(C=C1)CN(CC2=C(C=C(C=C2)OC)C)C3=N[C@]([C@H]([C@H](O3)[C@@H](C)O)F)(C)C4=CC=CC=C4F)OC

DOS

IR

Vibrations