Geometry & MOs

Info

ID:	160356
PubChem CID:	57309704
Reduced:	N2O2C11H17 (2)
Stoich.:	A2B2C11D17 (2)
Weight, g/mol:	333.121237
ΔH_f, kcal/mol:	-150.38
Dipole, Da:	5.91
IP(EA), eV:	-9.42(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-acetamido-2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl]propanedioic acid

Drug info:

PubChemData

Smile

CC(C)C[C@H](CC(=O)N(C(=C)C)O)C(=O)NC(C(=O)NC1=CC=NC=C1)C(C)(C)C

DOS

IR

Vibrations