Geometry & MOs

Info

ID:	308103
PubChem CID:	125316941
Reduced:	O4N5C27H29 (1)
Stoich.:	A4B5C27D29 (1)
Weight, g/mol:	455.18902
ΔH_f, kcal/mol:	-69.72
Dipole, Da:	6.68
IP(EA), eV:	-8.56(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-(4-fluorophenyl)-2-[[(2R)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C[C@]12[C@H]3C(=C4C=CC=CC4=N3)CCN1C(=O)N(C2=O)C5=CC=CC=C5C(=O)NCCN6CCOCC6

DOS

IR

Vibrations