Geometry & MOs

Info

ID:	339951
PubChem CID:	127261960
Reduced:	FO2N3C22H28 (1)
Stoich.:	AB2C3D22E28 (1)
Weight, g/mol:	508.09714
ΔH_f, kcal/mol:	-111.06
Dipole, Da:	2.04
IP(EA), eV:	-9.45(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)N(CC1=CC=C(C=C1)F)[C@@H](CC2=CC=CC=C2)C(=O)N)N

DOS

IR

Vibrations