Geometry & MOs

Info

ID:

179271

PubChem CID:

76459105

Reduced:

FN2O2H15C19 (1)

Stoich.:

AB2C2D15E19 (1)

Weight, g/mol:

550.255813

ΔHf, kcal/mol:

-39.53

Dipole, Da:

4.16

IP(EA), eV:

 -9.55(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-ethyl-5-(4-hydroxy-6-oxo-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)-4-[[4-(morpholin-4-ylmethyl)cyclohexanecarbonyl]amino]-2H-1,2-oxazole-3-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

C1CC2=C(C1NC(=O)C3=NC(=O)C4C=CC=CC4=C3)C=CC=C2F

DOS

IR

Vibrations