Geometry & MOs

Info

ID:	244776
PubChem CID:	99381451
Reduced:	SN3O3C18H25 (1)
Stoich.:	AB3C3D18E25 (1)
Weight, g/mol:	363.161663
ΔH_f, kcal/mol:	-131.15
Dipole, Da:	3.24
IP(EA), eV:	-9.2(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperidin-2-yl]acetamide

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)CC(=O)N)C(=O)CCC(=O)N2CCC3=C(C2)C=CS3

DOS

IR

Vibrations