Geometry & MOs

Info

ID:	54381
PubChem CID:	17137123
Reduced:	SO2N4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	369.125946
ΔH_f, kcal/mol:	-2.64
Dipole, Da:	6.57
IP(EA), eV:	-8.55(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CCSC2=NN=C(N2C3=CC=CC=C3)COC)C

DOS

IR

Vibrations