Geometry & MOs

Info

ID:	365594
PubChem CID:	127318201
Reduced:	SO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	274.117356
ΔH_f, kcal/mol:	-49.8
Dipole, Da:	6.29
IP(EA), eV:	-8.39(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(thian-4-ylmethyl)thiomorpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)N3CCN(CC3)C(=O)NCC4CCSCC4

DOS

IR

Vibrations