Geometry & MOs

Info

ID:	350462
PubChem CID:	127277824
Reduced:	SO2N4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	389.213698
ΔH_f, kcal/mol:	-64.44
Dipole, Da:	3.17
IP(EA), eV:	-8.02(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)NCC(C)N2CCN(CC2)C3=CC=CC=C3

DOS

IR

Vibrations