Geometry & MOs

Info

ID:	85992
PubChem CID:	49880865
Reduced:	S2O3N5H21C23 (1)
Stoich.:	A2B3C5D21E23 (1)
Weight, g/mol:	474.136176
ΔH_f, kcal/mol:	20.51
Dipole, Da:	9.17
IP(EA), eV:	-8.64(-1.42)
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-(3-hydroxyphenyl)propanamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=NC=CS1)SC2=NN=C(N2C3=CC=CC=C3)C4COC5=CC=CC=C5O4

DOS

IR

Vibrations