Geometry & MOs

Info

ID:

188015

PubChem CID:

77654102

Reduced:

ClN2O4C21H24 (2)

Stoich.:

AB2C4D21E24 (2)

Weight, g/mol:

407.145676

ΔHf, kcal/mol:

-234.53

Dipole, Da:

2.56

IP(EA), eV:

 -8.66(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-hydroxy-2-(4-methylphenyl)-6-oxo-N-(2,2,2-trifluoro-1-phenylethyl)-1,3-diazinane-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCC(C1=CC=C(C=C1)Cl)NC(=O)C(C2=CC=CC=C2)(OC)OC(=O)C(=O)OC(C3=CC=CC=C3)(C(=O)NC(CCN(C)C)C4=CC=C(C=C4)Cl)OC

DOS

IR

Vibrations