Geometry & MOs

Info

ID:	431827
PubChem CID:	135171941
Reduced:	SO2F3N5C26H30 (1)
Stoich.:	AB2C3D5E26F30 (1)
Weight, g/mol:	381.241627
ΔH_f, kcal/mol:	-158.44
Dipole, Da:	9.19
IP(EA), eV:	-8.92(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-amino-4-[cyclohexyl(2-methylpropyl)amino]phenyl]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C3=C(N=CC=C3)C(=O)OC)NC4=NC(=NS4)C(F)(F)F

DOS

IR

Vibrations