Geometry & MOs

Info

ID:	43104
PubChem CID:	10318567
Reduced:	O6C21H26 (1)
Stoich.:	A6B21C26 (1)
Weight, g/mol:	396.169665
ΔH_f, kcal/mol:	-262.51
Dipole, Da:	3.31
IP(EA), eV:	-9.93(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-fluoro-3-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-oxopentanoate

Drug info:

PubChemData

Smile

CC(=O)CC(CCCCCCCC(=O)O)C1C(=O)C2=CC=CC=C2OC1=O

DOS

IR

Vibrations