Geometry & MOs

Info

ID:	390056
PubChem CID:	134996841
Reduced:	N3C31H43 (1)
Stoich.:	A3B31C43 (1)
Weight, g/mol:	548.14376
ΔH_f, kcal/mol:	34.05
Dipole, Da:	3.15
IP(EA), eV:	-9.38(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[chloro-[[5-(1H-indol-3-yl)-6-phenyl-1,2,4-triazin-3-yl]methyl]-(4-methylphenyl)-lambda4-sulfanyl]-phenylmethanone

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations