Geometry & MOs

Info

ID:	34038
PubChem CID:	7889537
Reduced:	O2N3S3H15C18 (1)
Stoich.:	A2B3C3D15E18 (1)
Weight, g/mol:	409.167794
ΔH_f, kcal/mol:	44.0
Dipole, Da:	5.82
IP(EA), eV:	-8.69(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-naphthalen-1-ylacetate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C2=NC(=CS2)CSC3=NC=NC4=C3C=CS4

DOS

IR

Vibrations