Geometry & MOs

Info

ID:	402323
PubChem CID:	135055512
Reduced:	ClC17H19 (1)
Stoich.:	AB17C19 (1)
Weight, g/mol:	375.150429
ΔH_f, kcal/mol:	18.3
Dipole, Da:	3.43
IP(EA), eV:	-8.51(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(=CC(=CC(=C1C)C)C2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations