Geometry & MOs

Info

ID:	79580
PubChem CID:	49829595
Reduced:	N2S2O4C22H23 (1)
Stoich.:	A2B2C4D22E23 (1)
Weight, g/mol:	448.146821
ΔH_f, kcal/mol:	-86.16
Dipole, Da:	10.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754393
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methylanilino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)N(C(=S)S3)CCCC(=O)[O-])C

DOS

IR

Vibrations