Geometry & MOs

Info

ID:	300479
PubChem CID:	121302390
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	457.218784
ΔH_f, kcal/mol:	-162.32
Dipole, Da:	2.26
IP(EA), eV:	-10.0(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(cyclohexylmethylamino)-3-(naphthalen-2-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC(=C1)[C@H]2C[C@H](CCO2)O

DOS

IR

Vibrations