Geometry & MOs

Info

ID:	68338
PubChem CID:	46508219
Reduced:	N2S2O3C22H22 (1)
Stoich.:	A2B2C3D22E22 (1)
Weight, g/mol:	448.091535
ΔH_f, kcal/mol:	-63.71
Dipole, Da:	5.29
IP(EA), eV:	-8.68(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC3=CSC(=N3)C)C

DOS

IR

Vibrations