Geometry & MOs

Info

ID:	358828
PubChem CID:	127296696
Reduced:	SN2O5C19H26 (1)
Stoich.:	AB2C5D19E26 (1)
Weight, g/mol:	378.101417
ΔH_f, kcal/mol:	-170.61
Dipole, Da:	6.37
IP(EA), eV:	-9.19(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-(4-methylidenepiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC(=C)CC1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations