Geometry & MOs

Info

ID:	63952
PubChem CID:	26759552
Reduced:	ClNO4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	395.100286
ΔH_f, kcal/mol:	-138.52
Dipole, Da:	4.08
IP(EA), eV:	-9.03(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[4-(difluoromethylsulfanyl)anilino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1Cl)OC(=O)CC2=CC=C(C=C2)OC

DOS

IR

Vibrations