Geometry & MOs

Info

ID:	214633
PubChem CID:	85083316
Reduced:	BrN4O4H27C28 (1)
Stoich.:	AB4C4D27E28 (1)
Weight, g/mol:	562.124855
ΔH_f, kcal/mol:	-54.09
Dipole, Da:	2.54
IP(EA), eV:	-8.85(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1,1-bis[(4-chlorophenyl)methyl]-3,4-dihydronaphthalen-2-ylidene]amino]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=C(C=C3)CC4CN(CC4C(=O)O)C5=NC=C(C=N5)Br

DOS

IR

Vibrations