Geometry & MOs

Info

ID:	43498
PubChem CID:	10321392
Reduced:	SN5O5C20H25 (1)
Stoich.:	AB5C5D20E25 (1)
Weight, g/mol:	447.204573
ΔH_f, kcal/mol:	-187.73
Dipole, Da:	7.01
IP(EA), eV:	-8.86(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-methoxy-3-[3-[2-methyl-1-oxo-1-[(3-phenylphenyl)methylamino]propan-2-yl]oxyphenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CC2=C(C1CCCC3=CC=C(S3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=NC(=N2)N)N

DOS

IR

Vibrations