Geometry & MOs

Info

ID:

187141

PubChem CID:

77535314

Reduced:

ClF3N4O4C27H30 (1)

Stoich.:

AB3C4D4E27F30 (1)

Weight, g/mol:

530.21409

ΔHf, kcal/mol:

-284.3

Dipole, Da:

2.18

IP(EA), eV:

 -8.87(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2,2-difluoro-3-[5-(4-fluorophenyl)-3-methyl-4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrazol-1-yl]propyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C2=CC3=C(C=C2)OCC(=O)N3)C4=CC=C(C=C4)F)CC(CNC(CC(C)C)C(=O)O)(F)F.Cl

DOS

IR

Vibrations