Geometry & MOs

Info

ID:	68426
PubChem CID:	46508388
Reduced:	Cl2N2S2O3H16C20 (1)
Stoich.:	A2B2C2D3E16F20 (1)
Weight, g/mol:	418.138485
ΔH_f, kcal/mol:	-63.39
Dipole, Da:	3.83
IP(EA), eV:	-8.89(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)OCC(=O)NC3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations