Geometry & MOs

Info

ID:	52941
PubChem CID:	14709250
Reduced:	OS2N5C17H17 (1)
Stoich.:	AB2C5D17E17 (1)
Weight, g/mol:	264.068097
ΔH_f, kcal/mol:	91.2
Dipole, Da:	4.41
IP(EA), eV:	-8.71(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-methoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]formamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=NNC(=S)N2NC(=S)NC3=CC=CC=C3

DOS

IR

Vibrations