Geometry & MOs

Info

ID:	410858
PubChem CID:	135083659
Reduced:	BrNS2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	404.235145
ΔH_f, kcal/mol:	55.74
Dipole, Da:	2.13
IP(EA), eV:	-8.61(-0.6)
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] 3-methylbut-2-enoate

Drug info:

PubChemData

Smile

C=C(CNC(=S)SC1=CC=CC=C1)Br

DOS

IR

Vibrations