Geometry & MOs

Info

ID:	155816
PubChem CID:	56367659
Reduced:	N2S2O4C21H26 (1)
Stoich.:	A2B2C4D21E26 (1)
Weight, g/mol:	454.137399
ΔH_f, kcal/mol:	-120.68
Dipole, Da:	3.28
IP(EA), eV:	-9.09(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethoxy)-3-methoxy-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)SCC(=O)NCC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations