Geometry & MOs

Info

ID:	133070
PubChem CID:	51473102
Reduced:	FOS2N4C18H23 (1)
Stoich.:	ABC2D4E18F23 (1)
Weight, g/mol:	523.201516
ΔH_f, kcal/mol:	-27.17
Dipole, Da:	3.67
IP(EA), eV:	-8.55(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[4-[(2R)-1-(4-methylphenyl)sulfonyl-3-(4-nitrobenzoyl)imidazolidin-2-yl]phenyl]azanium

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)C1CCCCC1)SC2=NN=C(S2)NC3=CC=CC=C3F

DOS

IR

Vibrations