Geometry & MOs

Info

ID:

446477

PubChem CID:

135275268

Reduced:

F2N2O3C26H26 (1)

Stoich.:

A2B2C3D26E26 (1)

Weight, g/mol:

604.254892

ΔHf, kcal/mol:

-119.65

Dipole, Da:

2.51

IP(EA), eV:

 -8.62(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-fluoro-4-[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-3-(3-fluoro-4-methoxyphenyl)-7-phenylmethoxy-2,3-dihydro-1,4-benzoxazine

Drug info:

PubChemData

Smile

CCCN1CC(C1)OC2=C(C=C(C=C2)N3[C@@H](COC4=C3C=CC(=C4)O)C5=CC=C(C=C5)F)F

DOS

IR

Vibrations