Geometry & MOs

Info

ID:	133319
PubChem CID:	51508089
Reduced:	OSN5C24H26 (1)
Stoich.:	ABC5D24E26 (1)
Weight, g/mol:	454.16166
ΔH_f, kcal/mol:	95.7
Dipole, Da:	17.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.020409
Charge, e:	0

Chem-info

IUPAC name:

(5R)-3-[(4-methoxyphenyl)methyl]-5-[(4-methylpyridin-2-yl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N([C@@H]3[C@@H]2C[NH+](CC3)C)C(=O)CSC4=NC=C(N=N4)C5=CC=CC=C5

DOS

IR

Vibrations