Geometry & MOs

Info

ID:	228410
PubChem CID:	87564294
Reduced:	SN5O7C10H17 (1)
Stoich.:	AB5C7D10E17 (1)
Weight, g/mol:	499.135505
ΔH_f, kcal/mol:	-231.99
Dipole, Da:	8.48
IP(EA), eV:	-9.98(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-6-[[(3S)-7-(pyridin-2-ylamino)-2,3-dihydro-1-benzofuran-3-yl]-(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

Drug info:

PubChemData

Smile

C(CC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)O)[C@@H](C(=O)O)NN

DOS

IR

Vibrations