Geometry & MOs

Info

ID:	37667
PubChem CID:	8023000
Reduced:	NO4H17C18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	414.170333
ΔH_f, kcal/mol:	-99.15
Dipole, Da:	2.51
IP(EA), eV:	-8.6(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[(Z)-[4-(2-fluoro-5-nitroanilino)-4-oxobutan-2-ylidene]amino]benzamide

Drug info:

PubChemData

Smile

CC(=O)[C@@H]1[C@H]2[C@@H]3CO[C@@H](O3)C(=O)[C@@H]2[C@H]4N1C5=CC=CC=C5C=C4

DOS

IR

Vibrations