Geometry & MOs

Info

ID:	63782
PubChem CID:	26759179
Reduced:	ClNSF2O3H14C17 (1)
Stoich.:	ABCD2E3F14G17 (1)
Weight, g/mol:	409.075072
ΔH_f, kcal/mol:	-182.18
Dipole, Da:	8.14
IP(EA), eV:	-9.13(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC(=C(C=C1)F)F)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations