Geometry & MOs

Info

ID:	27732
PubChem CID:	823317
Reduced:	NSO2H17C18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	236.073182
ΔH_f, kcal/mol:	-40.02
Dipole, Da:	2.54
IP(EA), eV:	-8.88(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC3=C(C4=C(S3)CCCCC4)C(=O)O2

DOS

IR

Vibrations