Geometry & MOs

Info

ID:	407028
PubChem CID:	135079160
Reduced:	BrNSSiCl3O4C24H41 (1)
Stoich.:	ABCDE3F4G24H41 (1)
Weight, g/mol:	404.235145
ΔH_f, kcal/mol:	-277.57
Dipole, Da:	4.46
IP(EA), eV:	-8.71(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[hydroxy(diphenyl)methyl]-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] (E)-2-methylbut-2-enoate

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)OC(CC1=NC(CS1)(CCCCC(=O)OCC(Cl)(Cl)Cl)O)/C=C(\C)/Br

DOS

IR

Vibrations