Geometry & MOs

Info

ID:	349761
PubChem CID:	127275960
Reduced:	SN2O2C18H22 (1)
Stoich.:	AB2C2D18E22 (1)
Weight, g/mol:	314.166414
ΔH_f, kcal/mol:	-57.87
Dipole, Da:	3.65
IP(EA), eV:	-8.86(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-morpholin-4-ylthiolan-3-yl)methyl]oxane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC=C(C=C2)C(C)NC(=O)C3CCCOC3

DOS

IR

Vibrations