Geometry & MOs

Info

ID:	54643
PubChem CID:	17389031
Reduced:	BrOSN5H18C20 (1)
Stoich.:	ABCD5E18F20 (1)
Weight, g/mol:	548.96566
ΔH_f, kcal/mol:	68.79
Dipole, Da:	3.06
IP(EA), eV:	-8.76(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dibromo-4-methylphenyl)-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=C(C4=C(N3C)C=CC(=C4)Br)N=N2)C

DOS

IR

Vibrations