Geometry & MOs

Info

ID:	339955
PubChem CID:	127261964
Reduced:	IO3N4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	508.09714
ΔH_f, kcal/mol:	-64.6
Dipole, Da:	3.18
IP(EA), eV:	-9.29(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]-[(3-iodophenyl)methyl]amino]-3-phenylpropanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(CC1=CC=CC=C1I)[C@@H](CC2=CC=CC=C2)C(=O)N)NC(=O)CN

DOS

IR

Vibrations