Geometry & MOs

Info

ID:	384989
PubChem CID:	134978096
Reduced:	NSO2C23H29 (1)
Stoich.:	ABC2D23E29 (1)
Weight, g/mol:	358.214409
ΔH_f, kcal/mol:	-45.33
Dipole, Da:	5.97
IP(EA), eV:	-9.25(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1S,4S)-tetracyclo[10.6.0.01,4.04,11]octadeca-2,11-diene-2,3-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C=C=CC(C)C)C

DOS

IR

Vibrations