Geometry & MOs

Info

ID:	363312
PubChem CID:	127310729
Reduced:	OSN6C19H26 (1)
Stoich.:	ABC6D19E26 (1)
Weight, g/mol:	385.18577
ΔH_f, kcal/mol:	52.64
Dipole, Da:	9.38
IP(EA), eV:	-8.59(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propanoyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)C2=CC=CC=C2N3C=NN=N3)N4CCSCC4

DOS

IR

Vibrations