Geometry & MOs

Info

ID:	340031
PubChem CID:	127262040
Reduced:	SN4O4C21H28 (1)
Stoich.:	AB4C4D21E28 (1)
Weight, g/mol:	467.206778
ΔH_f, kcal/mol:	-132.35
Dipole, Da:	7.27
IP(EA), eV:	-9.34(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-[[(2S)-1-amino-1-oxopropan-2-yl]-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-5-fluoro-4-oxopentanoate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N(C)[C@@H](CC1=CN=CS1)C(=O)N)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations