Geometry & MOs

Info

ID:	86197
PubChem CID:	49882647
Reduced:	SN4O4C22H24 (1)
Stoich.:	AB4C4D22E24 (1)
Weight, g/mol:	464.188212
ΔH_f, kcal/mol:	-66.91
Dipole, Da:	3.61
IP(EA), eV:	-8.33(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)OC)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations