Geometry & MOs

Info

ID:

179272

PubChem CID:

76459509

Reduced:

ClN4O6C27H39 (1)

Stoich.:

AB4C6D27E39 (1)

Weight, g/mol:

514.279135

ΔHf, kcal/mol:

-241.68

Dipole, Da:

8.74

IP(EA), eV:

 -8.5(-1.8)

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

Drug info:

PubChemData

Smile

CCNC(=O)C1=C(C(=C2C=C(C(=CC2=O)O)C(C)C)ON1)NC(=O)C3CCC(CC3)CN4CCOCC4.Cl

DOS

IR

Vibrations