Geometry & MOs

Info

ID:	431917
PubChem CID:	135172044
Reduced:	SF3O3N4C25H27 (1)
Stoich.:	AB3C3D4E25F27 (1)
Weight, g/mol:	382.225643
ΔH_f, kcal/mol:	-202.18
Dipole, Da:	3.36
IP(EA), eV:	-9.22(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-amino-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]benzoate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C3=CC=CC=C3C(=O)O)NC4=NC(=NS4)C(F)(F)F

DOS

IR

Vibrations