Geometry & MOs

Info

ID:	60804
PubChem CID:	26702365
Reduced:	N2O5C20H24 (1)
Stoich.:	A2B5C20D24 (1)
Weight, g/mol:	307.132077
ΔH_f, kcal/mol:	-163.45
Dipole, Da:	7.55
IP(EA), eV:	-8.45(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-4-(4-cyanoanilino)-4-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

C[C@H](CC(=O)NC1=CC(=C(C(=C1)OC)OC)OC)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations