Geometry & MOs

Info

ID:	63292
PubChem CID:	26750499
Reduced:	N2O4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	381.084636
ΔH_f, kcal/mol:	-127.71
Dipole, Da:	4.4
IP(EA), eV:	-9.22(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[4-(difluoromethylsulfanyl)anilino]-1-oxopropan-2-yl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C)C1(CCCCC1)C#N)OC(=O)C2=CC(=CC=C2)OC

DOS

IR

Vibrations