Geometry & MOs

Info

ID:	37309
PubChem CID:	8019366
Reduced:	NO7C19H27 (1)
Stoich.:	AB7C19D27 (1)
Weight, g/mol:	382.05282
ΔH_f, kcal/mol:	-282.49
Dipole, Da:	3.7
IP(EA), eV:	-8.83(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NC[C@H]2CCCO2

DOS

IR

Vibrations