Geometry & MOs

Info

ID:	36096
PubChem CID:	7980760
Reduced:	SN2O3H18C22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	328.142307
ΔH_f, kcal/mol:	-21.13
Dipole, Da:	5.0
IP(EA), eV:	-9.05(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)COC(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations