Geometry & MOs

Info

ID:	86270
PubChem CID:	49883639
Reduced:	SO4N5C21H21 (1)
Stoich.:	AB4C5D21E21 (1)
Weight, g/mol:	473.127009
ΔH_f, kcal/mol:	-62.17
Dipole, Da:	3.19
IP(EA), eV:	-8.45(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyano-2-phenylpyrazol-3-yl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations