Geometry & MOs

Info

ID:	329498
PubChem CID:	126737583
Reduced:	SF2O3N5H25C30 (1)
Stoich.:	AB2C3D5E25F30 (1)
Weight, g/mol:	416.278741
ΔH_f, kcal/mol:	-97.06
Dipole, Da:	3.81
IP(EA), eV:	-8.66(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[2-amino-4-[cyclohexanecarbonyl(methyl)amino]anilino]cyclobutyl]carbamate

Drug info:

PubChemData

Smile

C1CNC2=C1C=CC(=C2)N3C4=C(C=C(C=C4)CNC(=O)OCC5=CC=CC=C5)N=C3NC(=O)C6=CC=C(S6)C(F)F

DOS

IR

Vibrations