Geometry & MOs

Info

ID:	153171
PubChem CID:	56312321
Reduced:	SN2O4C21H32 (1)
Stoich.:	AB2C4D21E32 (1)
Weight, g/mol:	410.220557
ΔH_f, kcal/mol:	-171.79
Dipole, Da:	9.5
IP(EA), eV:	-8.76(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]acetyl]amino]-4-methylbenzoate

Drug info:

PubChemData

Smile

CCN(C1CCS(=O)(=O)C1)C(=O)CN2CCC(CC2)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations