Geometry & MOs

Info

ID:	49496
PubChem CID:	11533119
Reduced:	SnO2C24H42 (1)
Stoich.:	AB2C24D42 (1)
Weight, g/mol:	480.111981
ΔH_f, kcal/mol:	-119.64
Dipole, Da:	1.89
IP(EA), eV:	-9.54(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3,4-dichloroanilino)-2-methylphenyl]-[5-[4-(2-hydroxyethyl)triazol-1-yl]-2-methylphenyl]methanone

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)CCCCCOC(=O)C1=CC=CC=C1

DOS

IR

Vibrations