Geometry & MOs

Info

ID:	82358
PubChem CID:	49855933
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	385.05249
ΔH_f, kcal/mol:	-118.15
Dipole, Da:	5.66
IP(EA), eV:	-10.16(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]2CC([C@@H]3[C@]2(C(=C1)C(=O)O3)O)(C)C

DOS

IR

Vibrations