Geometry & MOs

Info

ID:	350445
PubChem CID:	127277807
Reduced:	SO3N4C16H22 (1)
Stoich.:	AB3C4D16E22 (1)
Weight, g/mol:	389.213698
ΔH_f, kcal/mol:	-93.86
Dipole, Da:	2.78
IP(EA), eV:	-9.0(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)NC2=NC=C(C=C2)N3CCOCC3

DOS

IR

Vibrations