Geometry & MOs

Info

ID:	86174
PubChem CID:	49882367
Reduced:	ClSN4O4C23H25 (1)
Stoich.:	ABC4D4E23F25 (1)
Weight, g/mol:	571.155926
ΔH_f, kcal/mol:	-83.16
Dipole, Da:	7.87
IP(EA), eV:	-8.79(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SC(C)C(=O)NC2=C(C=CC(=C2)Cl)OC)C3C(OC4=CC=CC=C4O3)C

DOS

IR

Vibrations