Geometry & MOs

Info

ID:	51646
PubChem CID:	12014351
Reduced:	NSO6H21C27 (1)
Stoich.:	ABC6D21E27 (1)
Weight, g/mol:	644.92793
ΔH_f, kcal/mol:	-119.67
Dipole, Da:	1.28
IP(EA), eV:	-9.54(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7-bis(4-bromophenyl)-10-[(4-methylphenyl)sulfonylmethyl]-1,6-dioxa-10-azaspiro[4.5]deca-2,7-diene-4,9-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CN2C(=O)C=C(OC23C(=O)C=C(O3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations