Geometry & MOs

Info

ID:	150699
PubChem CID:	53790393
Reduced:	SO7H20C22 (1)
Stoich.:	AB7C20D22 (1)
Weight, g/mol:	488.172956
ΔH_f, kcal/mol:	-220.52
Dipole, Da:	7.03
IP(EA), eV:	-9.16(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[4-[(2-aminoacetyl)amino]phenyl]-2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1C(=O)C2=CC3=C(C=C2C[C@@H](S1)C(=O)OC(C4=CC=CC=C4)C(=O)OC)OCO3

DOS

IR

Vibrations