Geometry & MOs

Info

ID:	54379
PubChem CID:	17137117
Reduced:	SO3N4C21H24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	436.052752
ΔH_f, kcal/mol:	-34.1
Dipole, Da:	3.19
IP(EA), eV:	-8.49(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CCSC2=NN=C(N2C3=CC=CC=C3)COC

DOS

IR

Vibrations