Geometry & MOs

Info

ID:	350518
PubChem CID:	127277880
Reduced:	SN3O3C20H27 (1)
Stoich.:	AB3C3D20E27 (1)
Weight, g/mol:	389.213698
ΔH_f, kcal/mol:	-123.66
Dipole, Da:	6.72
IP(EA), eV:	-9.18(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CSCC2C(=O)NC3CC(=O)N(C3)C

DOS

IR

Vibrations