Geometry & MOs

Info

ID:	449480
PubChem CID:	135298959
Reduced:	SN4O6C30H36 (1)
Stoich.:	AB4C6D30E36 (1)
Weight, g/mol:	257.177964
ΔH_f, kcal/mol:	-218.85
Dipole, Da:	2.72
IP(EA), eV:	-8.7(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]-3-methyl-5-methylidenepyrrol-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)C(=O)N[C@@H](C)C(=O)NCC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations