Geometry & MOs

Info

ID:	351915
PubChem CID:	127282833
Reduced:	S2N3O3C18H27 (1)
Stoich.:	A2B3C3D18E27 (1)
Weight, g/mol:	285.187484
ΔH_f, kcal/mol:	-118.37
Dipole, Da:	4.56
IP(EA), eV:	-8.84(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiomorpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCS1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations