Geometry & MOs

Info

ID:	61177
PubChem CID:	26706683
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	405.168856
ΔH_f, kcal/mol:	-154.1
Dipole, Da:	3.42
IP(EA), eV:	-9.06(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]-N-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

C=CCNC(=O)C1=CC=CC=C1NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O

DOS

IR

Vibrations