Geometry & MOs

Info

ID:	79198
PubChem CID:	49747370
Reduced:	BrSN3O4C25H30 (1)
Stoich.:	ABC3D4E25F30 (1)
Weight, g/mol:	500.234493
ΔH_f, kcal/mol:	-146.09
Dipole, Da:	9.64
IP(EA), eV:	-8.7(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxyphenyl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)Br

DOS

IR

Vibrations