Geometry & MOs

Info

ID:	196386
PubChem CID:	78818464
Reduced:	SN2O3C15H24 (1)
Stoich.:	AB2C3D15E24 (1)
Weight, g/mol:	403.204196
ΔH_f, kcal/mol:	-124.33
Dipole, Da:	6.51
IP(EA), eV:	-8.88(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-[1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NCCCO

DOS

IR

Vibrations