Geometry & MOs

Info

ID:	60816
PubChem CID:	26702437
Reduced:	NSF3O3C19H20 (1)
Stoich.:	ABC3D3E19F20 (1)
Weight, g/mol:	496.130422
ΔH_f, kcal/mol:	-244.63
Dipole, Da:	7.28
IP(EA), eV:	-8.4(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-nitrobenzoyl)amino]phenyl] 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1CSCC(=O)NC2=CC=C(C=C2)C(F)(F)F)OC)OC

DOS

IR

Vibrations