Geometry & MOs

Info

ID:	449483
PubChem CID:	135298981
Reduced:	OC12H13 (2)
Stoich.:	AB12C13 (2)
Weight, g/mol:	577.127456
ΔH_f, kcal/mol:	-39.5
Dipole, Da:	1.29
IP(EA), eV:	-8.28(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-[6-[4-ethyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfinylpyridin-2-yl]-1-methanimidoylurea

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C)C2=C(C=C(C(=C2)C)C3=CC=CC=C3C)OC

DOS

IR

Vibrations