Geometry & MOs

Info

ID:	28810
PubChem CID:	829782
Reduced:	N2O2S2C11H12 (1)
Stoich.:	A2B2C2D11E12 (1)
Weight, g/mol:	335.05209
ΔH_f, kcal/mol:	-40.74
Dipole, Da:	7.16
IP(EA), eV:	-8.74(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R)-N-(2-bromophenyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)N

DOS

IR

Vibrations