Geometry & MOs

Info

ID:	155877
PubChem CID:	56368063
Reduced:	O3N4C23H30 (1)
Stoich.:	A3B4C23D30 (1)
Weight, g/mol:	462.175933
ΔH_f, kcal/mol:	-103.22
Dipole, Da:	4.27
IP(EA), eV:	-9.29(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)CCC2=NC3=CC=CC=C3C(=O)N2C4CC4

DOS

IR

Vibrations