Geometry & MOs

Info

ID:

190504

PubChem CID:

78012915

Reduced:

O2N6H26C27 (1)

Stoich.:

A2B6C26D27 (1)

Weight, g/mol:

587.263151

ΔHf, kcal/mol:

49.79

Dipole, Da:

3.88

IP(EA), eV:

 -9.16(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[9-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(1-hydroxypropan-2-yl)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylcarbamic acid

Drug info:

PubChemData

Smile

C1CC(CC2(C1)CN(C(=O)O2)C3=CC=C(C=C3)CN4C=CC=N4)CN5C=NC6=C5C=C(C=C6)C#N

DOS

IR

Vibrations