Geometry & MOs

Info

ID:	349149
PubChem CID:	127274875
Reduced:	SN4O4C17H26 (1)
Stoich.:	AB4C4D17E26 (1)
Weight, g/mol:	397.239913
ΔH_f, kcal/mol:	-181.34
Dipole, Da:	5.68
IP(EA), eV:	-8.99(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)N3CSCC3C(=O)N(C)C

DOS

IR

Vibrations