Geometry & MOs

Info

ID:	218866
PubChem CID:	85090084
Reduced:	ClSO3N4C26H35 (1)
Stoich.:	ABC3D4E26F35 (1)
Weight, g/mol:	518.98677
ΔH_f, kcal/mol:	-92.16
Dipole, Da:	2.61
IP(EA), eV:	-8.27(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-benzoyl-7,7-dibromo-5-phenyl-2-azabicyclo[4.1.0]hept-3-en-2-yl)propanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N(C)C2=CC=CC=C2C=CC(=O)NC(C)CN3CCN(CC3)C

DOS

IR

Vibrations