Geometry & MOs

Info

ID:	68594
PubChem CID:	46508724
Reduced:	SO3N4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	417.158766
ΔH_f, kcal/mol:	-87.32
Dipole, Da:	4.0
IP(EA), eV:	-9.05(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CCN(C1=NC(=CS1)CN2C(=O)C(NC2=O)(C)C3=CC=C(C=C3)C)C(=O)C

DOS

IR

Vibrations