Geometry & MOs

Info

ID:	194402
PubChem CID:	78529511
Reduced:	NO2C7H7 (3)
Stoich.:	AB2C7D7 (3)
Weight, g/mol:	408.021452
ΔH_f, kcal/mol:	-190.7
Dipole, Da:	4.95
IP(EA), eV:	-8.61(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)OCC(=O)NC2=CC=CC=C2OC)C3=CC=CC=C3

DOS

IR

Vibrations