Geometry & MOs

Info

ID:	272366
PubChem CID:	103740531
Reduced:	NO4H25C27 (1)
Stoich.:	AB4C25D27 (1)
Weight, g/mol:	319.178358
ΔH_f, kcal/mol:	-78.75
Dipole, Da:	6.45
IP(EA), eV:	-9.06(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyclopropylphenyl)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

CN(C(C1=CC=CC=C1C2CC2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

DOS

IR

Vibrations