Geometry & MOs

Info

ID:	132871
PubChem CID:	51435999
Reduced:	O2N5C22H40 (1)
Stoich.:	A2B5C22D40 (1)
Weight, g/mol:	340.075587
ΔH_f, kcal/mol:	-129.66
Dipole, Da:	7.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753715
Charge, e:	-1

Chem-info

IUPAC name:

3-methyl-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-6-oxopyrimidin-4-olate

Drug info:

PubChemData

Smile

CCC[NH+]1C(C(CC2C1NC3CCC(CN3C2=O)C)C(=O)NC4CCCCC4)N

DOS

IR

Vibrations