Geometry & MOs

Info

ID:	345837
PubChem CID:	127270137
Reduced:	SN3O3C20H33 (1)
Stoich.:	AB3C3D20E33 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-169.78
Dipole, Da:	4.77
IP(EA), eV:	-8.77(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(C(=O)CC1)CC(=O)NC2CCC(CC2)C(=O)N3CCSCC3

DOS

IR

Vibrations