Geometry & MOs

Info

ID:	221962
PubChem CID:	85292985
Reduced:	O9C20H30 (1)
Stoich.:	A9B20C30 (1)
Weight, g/mol:	414.255229
ΔH_f, kcal/mol:	-382.91
Dipole, Da:	4.21
IP(EA), eV:	-9.88(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[1-(tert-butylsulfamoylmethyl)-7,7-dimethyl-2-bicyclo[2.2.1]heptanylidene]amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1C(=CCO)COC12C3C(C(O2)C4COC(O4)(C)C)OC(O3)(C)C

DOS

IR

Vibrations