Geometry & MOs

Info

ID:	43225
PubChem CID:	10319892
Reduced:	ClO2N4H19C23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	419.06638
ΔH_f, kcal/mol:	11.59
Dipole, Da:	6.47
IP(EA), eV:	-8.78(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

imidazol-1-yl-[1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazol-4-yl]methanone

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N[C@H](C1=O)NC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations