Geometry & MOs

Info

ID:	195071
PubChem CID:	78630051
Reduced:	ClNSO4H16C17 (1)
Stoich.:	ABCD4E16F17 (1)
Weight, g/mol:	409.193632
ΔH_f, kcal/mol:	-118.25
Dipole, Da:	4.74
IP(EA), eV:	-9.19(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(diethylamino)phenyl]methylideneamino]-3-[(3,5-dimethylphenoxy)methyl]-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C=CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations