Geometry & MOs

Info

ID:	347275
PubChem CID:	127272069
Reduced:	SO2N5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	379.229348
ΔH_f, kcal/mol:	-18.94
Dipole, Da:	7.77
IP(EA), eV:	-8.76(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethylmorpholin-4-yl)-3-methyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]butanamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(S2)C(=O)NCC(=O)N3CCN(CC3)C4=NN=CC=C4

DOS

IR

Vibrations