Geometry & MOs

Info

ID:	131456
PubChem CID:	51209255
Reduced:	SO2N5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	394.182733
ΔH_f, kcal/mol:	11.78
Dipole, Da:	7.52
IP(EA), eV:	-8.34(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-benzyl-4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethylpropanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC)SC1=NN/C(=C/2\C=NC3=CC=CC=C32)/N1CC4CCCO4

DOS

IR

Vibrations