Geometry & MOs

Info

ID:	392035
PubChem CID:	135012125
Reduced:	NO2H21C23 (1)
Stoich.:	AB2C21D23 (1)
Weight, g/mol:	273.076786
ΔH_f, kcal/mol:	-1.83
Dipole, Da:	2.55
IP(EA), eV:	-9.45(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(Z)-5-chloropent-4-en-2-ynyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(=O)C2=CN=C(C=C2)C(=O)CCC3=CC=CC=C3

DOS

IR

Vibrations