Geometry & MOs

Info

ID:	86398
PubChem CID:	49884943
Reduced:	ClSN4O4H25C27 (1)
Stoich.:	ABC4D4E25F27 (1)
Weight, g/mol:	488.151826
ΔH_f, kcal/mol:	-44.03
Dipole, Da:	4.85
IP(EA), eV:	-8.56(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxyphenyl)-2-[[5-(3-methyl-2H-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4(COC5=CC=CC=C5O4)C

DOS

IR

Vibrations