Geometry & MOs

Info

ID:	321516
PubChem CID:	126666499
Reduced:	N2S2H26C31 (1)
Stoich.:	A2B2C26D31 (1)
Weight, g/mol:	507.163057
ΔH_f, kcal/mol:	139.11
Dipole, Da:	3.97
IP(EA), eV:	-8.49(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-phenyl-4,5-dihydroimidazol-2-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C2=CC(=C(N=C2)C3=CN=C(C(=C3)C)C4=CC=CC=C4SC)C=CC5=CC=CC=C5

DOS

IR

Vibrations