Geometry & MOs

Info

ID:	402380
PubChem CID:	135055769
Reduced:	BrNO3H14C18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	319.178358
ΔH_f, kcal/mol:	-60.0
Dipole, Da:	5.55
IP(EA), eV:	-9.44(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-(2-methylphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](CO1)N2C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations