Geometry & MOs

Info

ID:	311280
PubChem CID:	126590181
Reduced:	BrN2O2C14H21 (1)
Stoich.:	AB2C2D14E21 (1)
Weight, g/mol:	616.251955
ΔH_f, kcal/mol:	-50.03
Dipole, Da:	3.66
IP(EA), eV:	-8.78(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[4-[2-[(E)-1-(ethylamino)-3-methylhex-1-en-2-yl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide

Drug info:

PubChemData

Smile

C1C/C=C\C(=C/N(C(=O)C1)CCN2CCOCC2)\Br

DOS

IR

Vibrations