Geometry & MOs

Info

ID:	398587
PubChem CID:	135034057
Reduced:	ON2F3H13C17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	419.278407
ΔH_f, kcal/mol:	-120.51
Dipole, Da:	7.07
IP(EA), eV:	-9.21(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylpentanoyl]-methylamino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=NCC(F)(F)F)C2=O

DOS

IR

Vibrations