Geometry & MOs

Info

ID:	35603
PubChem CID:	7980089
Reduced:	SN3O3H15C17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	311.01571
ΔH_f, kcal/mol:	21.84
Dipole, Da:	6.68
IP(EA), eV:	-9.13(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromoanilino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC3=NC=NC(=C23)OC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations