Geometry & MOs

Info

ID:	57595
PubChem CID:	22425730
Reduced:	SO2N4C23H26 (1)
Stoich.:	AB2C4D23E26 (1)
Weight, g/mol:	518.00275
ΔH_f, kcal/mol:	-3.67
Dipole, Da:	5.3
IP(EA), eV:	-8.62(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[2-(4-bromophenyl)-6-(3-methoxyphenyl)-1,3-diazinan-4-yl]phenol

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C3=CC=CC=C32)N4CCOCC4

DOS

IR

Vibrations