Geometry & MOs

Info

ID:	36637
PubChem CID:	8010208
Reduced:	O2S2N6C13H14 (1)
Stoich.:	A2B2C6D13E14 (1)
Weight, g/mol:	380.083078
ΔH_f, kcal/mol:	17.12
Dipole, Da:	5.82
IP(EA), eV:	-8.68(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 3-methoxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NNC(=N3)N

DOS

IR

Vibrations