Geometry & MOs

Info

ID:	63792
PubChem CID:	26759195
Reduced:	ClNSO3C18H24 (1)
Stoich.:	ABCD3E18F24 (1)
Weight, g/mol:	413.025535
ΔH_f, kcal/mol:	-141.04
Dipole, Da:	1.74
IP(EA), eV:	-8.79(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1CCCCCC1)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations