Geometry & MOs

Info

ID:	348813
PubChem CID:	127274461
Reduced:	SN3O3C18H23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	334.135114
ΔH_f, kcal/mol:	-113.44
Dipole, Da:	3.08
IP(EA), eV:	-8.9(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]oxolane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCSCC2)NC(=O)C3CC(=O)N(C3)C

DOS

IR

Vibrations