Geometry & MOs

Info

ID:	54642
PubChem CID:	17389027
Reduced:	SN3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	455.04154
ΔH_f, kcal/mol:	26.48
Dipole, Da:	5.77
IP(EA), eV:	-8.63(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CCC1(NC(=S)N(N1)C2=CC=CC=C2)CCC(C)C

DOS

IR

Vibrations