Geometry & MOs

Info

ID:	86244
PubChem CID:	49883426
Reduced:	SN5O5H19C21 (1)
Stoich.:	AB5C5D19E21 (1)
Weight, g/mol:	466.167477
ΔH_f, kcal/mol:	-1.21
Dipole, Da:	9.94
IP(EA), eV:	-9.28(-1.23)
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-(4-methoxyphenyl)butanamide

Drug info:

PubChemData

Smile

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3COC4=CC=CC=C4O3

DOS

IR

Vibrations