Geometry & MOs

Info

ID:	307832
PubChem CID:	125309705
Reduced:	BrClSN2O2H4C7 (1)
Stoich.:	ABCD2E2F4G7 (1)
Weight, g/mol:	546.03458
ΔH_f, kcal/mol:	12.67
Dipole, Da:	4.92
IP(EA), eV:	-10.69(-2.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10S,11R,15S,16S)-16-(4-bromobenzoyl)-4-chloro-13-(4-methylphenyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione

Drug info:

PubChemData

Smile

C1C(=C2C(=CC=NC2=N1)Br)S(=O)(=O)Cl

DOS

IR

Vibrations