Geometry & MOs

Info

ID:	195216
PubChem CID:	78656224
Reduced:	N2O5C21H26 (1)
Stoich.:	A2B5C21D26 (1)
Weight, g/mol:	401.158685
ΔH_f, kcal/mol:	-183.69
Dipole, Da:	2.72
IP(EA), eV:	-9.59(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)C(=O)C(C)OC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC=C

DOS

IR

Vibrations