Geometry & MOs

Info

ID:	350519
PubChem CID:	127277881
Reduced:	SO2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	399.165034
ΔH_f, kcal/mol:	-82.12
Dipole, Da:	9.35
IP(EA), eV:	-8.84(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propanoyl-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)NCC2=CC(=CC=C2)CN3CCC(CC3)C

DOS

IR

Vibrations