Geometry & MOs

Info

ID:	36883
PubChem CID:	8014233
Reduced:	FNSO4C20H22 (1)
Stoich.:	ABCD4E20F22 (1)
Weight, g/mol:	380.059756
ΔH_f, kcal/mol:	-181.92
Dipole, Da:	5.75
IP(EA), eV:	-8.95(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCCC1=CC=C(C=C1)F)OC(=O)C2=C(C=C(C=C2)SC)OC

DOS

IR

Vibrations