Geometry & MOs

Info

ID:	431832
PubChem CID:	135171946
Reduced:	SO3N5C23H33 (1)
Stoich.:	AB3C5D23E33 (1)
Weight, g/mol:	202.02998
ΔH_f, kcal/mol:	-96.84
Dipole, Da:	4.36
IP(EA), eV:	-8.83(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,6S)-4-oxo-3-tricyclo[4.1.0.01,3]heptanyl]methanesulfonic acid

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCCCC2)NC3=NN=C(S3)C(=O)N

DOS

IR

Vibrations