Geometry & MOs

Info

ID:	352926
PubChem CID:	127284016
Reduced:	SN2O4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	380.140593
ΔH_f, kcal/mol:	-145.64
Dipole, Da:	4.34
IP(EA), eV:	-9.4(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-methylidenepiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCC(=C)CC3

DOS

IR

Vibrations