Geometry & MOs

Info

ID:	172962
PubChem CID:	75575870
Reduced:	OF3N5C26H30 (1)
Stoich.:	AB3C5D26E30 (1)
Weight, g/mol:	511.128981
ΔH_f, kcal/mol:	-74.55
Dipole, Da:	11.9
IP(EA), eV:	-8.41(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-3-[[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea

Drug info:

PubChemData

Smile

CCC(C1=CC(=C(C(=C1)F)F)F)N2CCCC3C2NNC3C4=CC(=C(C=C4)N5C=C(N=C5)C)OC

DOS

IR

Vibrations