Geometry & MOs

Info

ID:	33720
PubChem CID:	7887715
Reduced:	OS2N3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	361.132551
ΔH_f, kcal/mol:	-31.83
Dipole, Da:	2.08
IP(EA), eV:	-8.57(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)S[C@@H](C)C(=O)N4CCCCC4

DOS

IR

Vibrations