Geometry & MOs

Info

ID:	162284
PubChem CID:	57394178
Reduced:	SO2N7C27H33 (1)
Stoich.:	AB2C7D27E33 (1)
Weight, g/mol:	553.202672
ΔH_f, kcal/mol:	35.45
Dipole, Da:	6.94
IP(EA), eV:	-8.15(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-3-[2-[3-chloro-4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)(=O)C1=CC=CC(=C1)C2=CC=C3N2N=C(N=C3)NC4=CC=C(C=C4)N5CCN(CC5)C

DOS

IR

Vibrations