Geometry & MOs

Info

ID:	219627
PubChem CID:	85154883
Reduced:	NO10C26H29 (1)
Stoich.:	AB10C26D29 (1)
Weight, g/mol:	494.989042
ΔH_f, kcal/mol:	-399.68
Dipole, Da:	3.48
IP(EA), eV:	-9.26(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-4-fluoroanilino)methyl]-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CCC1(CC(C2=CC3=C(C(=C2C1O)O)C(=O)C4=C(C=CC(=C4C3=O)O)O)OC5CC(C(C(O5)C)O)N)O

DOS

IR

Vibrations