Geometry & MOs

Info

ID:	402478
PubChem CID:	135056143
Reduced:	NO2C7H11 (3)
Stoich.:	AB2C7D11 (3)
Weight, g/mol:	331.1606
ΔH_f, kcal/mol:	-271.94
Dipole, Da:	3.46
IP(EA), eV:	-9.56(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3aE,6Z,9aR)-1,4-dimethyl-2-(4-methylphenyl)sulfonyl-1,3,5,8,9,9a-hexahydrocycloocta[c]pyrrole

Drug info:

PubChemData

Smile

CC[C@H]([C@@H](C)N(C(=O)OC(C)C)NC(=O)OC(C)C)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations