Geometry & MOs

Info

ID:	86002
PubChem CID:	49880956
Reduced:	SN4O5C24H24 (1)
Stoich.:	AB4C5D24E24 (1)
Weight, g/mol:	486.150781
ΔH_f, kcal/mol:	-97.01
Dipole, Da:	7.79
IP(EA), eV:	-9.03(-0.85)
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-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NN=C(N2CC=C)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations