Geometry & MOs

Info

ID:	43355
PubChem CID:	10321169
Reduced:	BrON4C22H27 (1)
Stoich.:	ABC4D22E27 (1)
Weight, g/mol:	441.99215
ΔH_f, kcal/mol:	-7.93
Dipole, Da:	5.76
IP(EA), eV:	-8.24(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-(4-bromophenyl)-12-methyl-17-thia-3,7,9,15-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,11(16),12,14-pentaene-8-thione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N2C(=C(C3=C2N=C(N=C3N4CCCC4CO)C)C)C)C)Br

DOS

IR

Vibrations