Geometry & MOs

Info

ID:	444047
PubChem CID:	135261165
Reduced:	ON2C11H22 (1)
Stoich.:	AB2C11D22 (1)
Weight, g/mol:	602.163534
ΔH_f, kcal/mol:	-61.93
Dipole, Da:	4.2
IP(EA), eV:	-9.37(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-anilino-3-[3-fluoro-4-[3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]-1-oxopropan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CCC(=O)N(C)NCC1CCCCC1

DOS

IR

Vibrations