Geometry & MOs

Info

ID:	54012
PubChem CID:	14719492
Reduced:	N3O4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	453.254895
ΔH_f, kcal/mol:	-138.75
Dipole, Da:	4.51
IP(EA), eV:	-9.24(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl [3-methoxy-6-(2-octylsulfanylethylcarbamoyl)-2-propylphenyl] carbonate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2CC(OC(C2)N3C=CC(=O)NC3=O)CO

DOS

IR

Vibrations