Geometry & MOs

Info

ID:	232548
PubChem CID:	87576398
Reduced:	FNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	525.193357
ΔH_f, kcal/mol:	-44.51
Dipole, Da:	1.99
IP(EA), eV:	-10.04(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[4-[4-(methanesulfonamido)phenyl]buta-1,3-diynyl]anilino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Drug info:

PubChemData

Smile

CC=C.C1=CC(=CC=C1C(=O)C=NO)F

DOS

IR

Vibrations