Geometry & MOs

Info

ID:	132312
PubChem CID:	51341844
Reduced:	N2O4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	560.230471
ΔH_f, kcal/mol:	-158.08
Dipole, Da:	3.21
IP(EA), eV:	-9.66(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-(phenylmethoxycarbonylamino)pentanoic acid

Drug info:

PubChemData

Smile

COC(=O)C[C@@H](CN)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations