Geometry & MOs

Info

ID:	35532
PubChem CID:	7979998
Reduced:	N2S2O3C17H20 (1)
Stoich.:	A2B2C3D17E20 (1)
Weight, g/mol:	400.178693
ΔH_f, kcal/mol:	-93.39
Dipole, Da:	2.89
IP(EA), eV:	-8.99(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-4-tert-butylbenzohydrazide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N2[C@H](C(=C(N=C2S1)C)C(=O)OCC(C)C)C3=CC=CS3

DOS

IR

Vibrations