Geometry & MOs

Info

ID:	86261
PubChem CID:	49883601
Reduced:	SCl2O3N4H18C20 (1)
Stoich.:	AB2C3D4E18F20 (1)
Weight, g/mol:	441.11069
ΔH_f, kcal/mol:	-36.03
Dipole, Da:	5.51
IP(EA), eV:	-9.04(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)Cl)Cl)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations