Geometry & MOs

Info

ID:	196463
PubChem CID:	78834775
Reduced:	SN2O4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	439.141117
ΔH_f, kcal/mol:	-139.29
Dipole, Da:	4.36
IP(EA), eV:	-8.94(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)S(=O)(=O)N)C(=O)N2CCC(CC2)C3=CC=C(C=C3)O

DOS

IR

Vibrations