Geometry & MOs

Info

ID:	350385
PubChem CID:	127277725
Reduced:	SN3O3C17H31 (1)
Stoich.:	AB3C3D17E31 (1)
Weight, g/mol:	389.213698
ΔH_f, kcal/mol:	-155.42
Dipole, Da:	6.98
IP(EA), eV:	-8.91(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)NCC(C)(C)N2CC(OC(C2)C)C

DOS

IR

Vibrations