Geometry & MOs

Info

ID:	61161
PubChem CID:	26706441
Reduced:	NO2H13C14 (2)
Stoich.:	AB2C13D14 (2)
Weight, g/mol:	405.168856
ΔH_f, kcal/mol:	-92.95
Dipole, Da:	5.85
IP(EA), eV:	-9.04(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC3=C2OC(=C(C3=O)C)C4=CC=CC=C4

DOS

IR

Vibrations