Geometry & MOs

Info

ID:	85991
PubChem CID:	49880858
Reduced:	SO4N5C23H25 (1)
Stoich.:	AB4C5D23E25 (1)
Weight, g/mol:	479.108582
ΔH_f, kcal/mol:	-80.64
Dipole, Da:	6.74
IP(EA), eV:	-8.59(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)butanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=NN=C(N2C)C3(COC4=CC=CC=C4O3)C

DOS

IR

Vibrations