Geometry & MOs

Info

ID:	27232
PubChem CID:	819799
Reduced:	SN2C3H3 (2)
Stoich.:	AB2C3D3 (2)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	115.0
Dipole, Da:	7.23
IP(EA), eV:	-8.88(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3S,4R)-3-[(4-methylphenyl)carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CSC1=C2C(=NC=N2)C(=S)NN1

DOS

IR

Vibrations