Geometry & MOs

Info

ID:	44141
PubChem CID:	10501087
Reduced:	N2O4H19C21 (1)
Stoich.:	A2B4C19D21 (1)
Weight, g/mol:	399.168827
ΔH_f, kcal/mol:	3.85
Dipole, Da:	6.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.553105
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[dimethyl(phenyl)silyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/C2=CC=[N+](C=C2)CC3=CC=CC=C3[N+](=O)[O-])O

DOS

IR

Vibrations