Geometry & MOs

Info

ID:	367653
PubChem CID:	127325182
Reduced:	SO2N4C18H30 (1)
Stoich.:	AB2C4D18E30 (1)
Weight, g/mol:	394.240248
ΔH_f, kcal/mol:	-81.95
Dipole, Da:	5.97
IP(EA), eV:	-8.4(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methyl-2-piperidin-1-ylbutanamide

Drug info:

PubChemData

Smile

CCCN1CCCC1C(=O)NC2=NC(=CS2)CN3CC(OC(C3)C)C

DOS

IR

Vibrations