Geometry & MOs

Info

ID:	232033
PubChem CID:	87575222
Reduced:	SO3F4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	601.303301
ΔH_f, kcal/mol:	-330.95
Dipole, Da:	3.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.157498
Charge, e:	0

Chem-info

IUPAC name:

1-(4,5-dimethoxy-2-nitrophenyl)ethyl N-[2-[2-[2-(11-sulfanylundecanoylamino)ethoxy]ethoxy]ethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)COC1=CC=C(C2=CC=CC=C21)[S+](C)C.C(F)(F)(F)F

DOS

IR

Vibrations