Geometry & MOs

Info

ID:

187140

PubChem CID:

77534562

Reduced:

N3O4C33H35 (1)

Stoich.:

A3B4C33D35 (1)

Weight, g/mol:

566.190768

ΔHf, kcal/mol:

4.78

Dipole, Da:

6.67

IP(EA), eV:

 -9.21(-1.8)

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;hydrochloride

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1C2=C(N=CC=C2)OCC3=CC=CC=C3)C(C)(C)C)C=CC4=NC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations