Geometry & MOs

Info

ID:	195288
PubChem CID:	78669802
Reduced:	OS2N4C12H16 (1)
Stoich.:	AB2C4D12E16 (1)
Weight, g/mol:	320.130697
ΔH_f, kcal/mol:	17.06
Dipole, Da:	5.13
IP(EA), eV:	-8.97(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=NN=C(N1C)SCC(=O)NC(C)C2=CC=CS2

DOS

IR

Vibrations