Geometry & MOs

Info

ID:	413438
PubChem CID:	135086387
Reduced:	BrNO2H12C16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	277.095023
ΔH_f, kcal/mol:	-14.92
Dipole, Da:	5.84
IP(EA), eV:	-8.5(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-acetamido-2-acetyloxy-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

C1C(=CC2=C(O1)C=CC(=C2)Br)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations