Geometry & MOs

Info

ID:	329513
PubChem CID:	126737736
Reduced:	SN3H27C48 (1)
Stoich.:	AB3C27D48 (1)
Weight, g/mol:	309.157623
ΔH_f, kcal/mol:	324.38
Dipole, Da:	1.85
IP(EA), eV:	-8.06(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]acetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C3=NC(=NC4=CC=CC=C43)N5C6=CC=CC=C6C7=C5C8=CC=CC=C8C9=C7C1=CC=CC=C1C1=C9SC2=CC=CC=C21

DOS

IR

Vibrations