Geometry & MOs

Info

ID:	170758
PubChem CID:	75276794
Reduced:	O2F4N5H33C34 (1)
Stoich.:	A2B4C5D33E34 (1)
Weight, g/mol:	528.19436
ΔH_f, kcal/mol:	-148.24
Dipole, Da:	8.01
IP(EA), eV:	-8.74(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclobutyl-2-[4-(1-cyclopropylethylsulfamoylamino)phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile

Drug info:

PubChemData

Smile

CC1CN(CC(N1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C4=NOC(=N4)C(C)(C)C5=CC=CC=C5)CC6=CC=C(C=C6)C(F)(F)F)F

DOS

IR

Vibrations