Geometry & MOs

Info

ID:	63758
PubChem CID:	26759130
Reduced:	N2S2O4C21H26 (1)
Stoich.:	A2B2C4D21E26 (1)
Weight, g/mol:	383.01497
ΔH_f, kcal/mol:	-135.73
Dipole, Da:	8.41
IP(EA), eV:	-9.1(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CSCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C

DOS

IR

Vibrations