Geometry & MOs

Info

ID:	30677
PubChem CID:	841701
Reduced:	ClOSN4H9C11 (1)
Stoich.:	ABCD4E9F11 (1)
Weight, g/mol:	305.108565
ΔH_f, kcal/mol:	65.27
Dipole, Da:	4.5
IP(EA), eV:	-9.82(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3S,4R)-3-[(2-methylsulfanylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1C2=NN=C(S2)NC(=O)C3=C(N=CC=C3)Cl

DOS

IR

Vibrations