Geometry & MOs

Info

ID:	68296
PubChem CID:	46508133
Reduced:	FOSN2H17C18 (1)
Stoich.:	ABCD2E17F18 (1)
Weight, g/mol:	401.129694
ΔH_f, kcal/mol:	-12.97
Dipole, Da:	0.7
IP(EA), eV:	-9.39(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methylanilino)-2-oxoethyl] 1-(benzenesulfonyl)cyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCNC(=O)/C(=C/C1=CC=C(S1)C2=CC=C(C=C2)F)/C#N

DOS

IR

Vibrations