Geometry & MOs

Info

ID:	49423
PubChem CID:	11533003
Reduced:	BrON6H19C23 (1)
Stoich.:	ABC6D19E23 (1)
Weight, g/mol:	474.06128
ΔH_f, kcal/mol:	73.98
Dipole, Da:	1.57
IP(EA), eV:	-8.8(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-(4-bromo-2-methoxyphenyl)sulfonyl-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9(17),10,12-tetraene

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3)C(C)NC4=NC=NC5=C4C(=CN5)Br

DOS

IR

Vibrations