Geometry & MOs

Info

ID:	16062
PubChem CID:	458873
Reduced:	SCl2N2O4H18C19 (1)
Stoich.:	AB2C2D4E18F19 (1)
Weight, g/mol:	440.036434
ΔH_f, kcal/mol:	-159.67
Dipole, Da:	6.57
IP(EA), eV:	-8.72(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2-[4-[2-(3,5-dichloro-2-hydroxy-4-methylanilino)-2-oxoethyl]anilino]-2-oxoethyl] ethanethioate

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=C1Cl)O)NC(=O)CC2=CC=C(C=C2)NC(=O)CSC(=O)C)Cl

DOS

IR

Vibrations