Geometry & MOs

Info

ID:	323153
PubChem CID:	126673027
Reduced:	BrOSC11H13 (1)
Stoich.:	ABCD11E13 (1)
Weight, g/mol:	396.098918
ΔH_f, kcal/mol:	-5.56
Dipole, Da:	3.49
IP(EA), eV:	-9.24(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-(4-chlorophenyl)-5,13-dimethyl-12-oxo-4,5,8,13-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,7,10-pentaen-9-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)CC2CC2)Br)C

DOS

IR

Vibrations