Geometry & MOs

Info

ID:	86378
PubChem CID:	49884766
Reduced:	S2O3N5C19H21 (1)
Stoich.:	A2B3C5D19E21 (1)
Weight, g/mol:	470.162391
ΔH_f, kcal/mol:	-20.79
Dipole, Da:	3.42
IP(EA), eV:	-8.88(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethoxyphenyl)-2-[[4-methyl-5-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=NC=CS1)SC2=NN=C(N2C)C3C(OC4=CC=CC=C4O3)C

DOS

IR

Vibrations