Geometry & MOs

Info

ID:	363303
PubChem CID:	127310720
Reduced:	SO2N3C19H33 (1)
Stoich.:	AB2C3D19E33 (1)
Weight, g/mol:	363.198048
ΔH_f, kcal/mol:	-124.84
Dipole, Da:	5.17
IP(EA), eV:	-8.64(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)C(=O)NCC2(CCCCC2)N3CCSCC3

DOS

IR

Vibrations