Geometry & MOs

Info

ID:	61427
PubChem CID:	26709184
Reduced:	NOC9H13 (2)
Stoich.:	ABC9D13 (2)
Weight, g/mol:	387.198048
ΔH_f, kcal/mol:	-99.95
Dipole, Da:	3.61
IP(EA), eV:	-9.64(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclooctyl-3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NCC(=O)NC2CCCCCCC2

DOS

IR

Vibrations