Geometry & MOs

Info

ID:	194527
PubChem CID:	78548992
Reduced:	BrO3H19C20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	421.200156
ΔH_f, kcal/mol:	-88.44
Dipole, Da:	2.85
IP(EA), eV:	-9.49(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-[(4-tert-butylbenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)CC3=CC=C(C=C3)Br

DOS

IR

Vibrations