Geometry & MOs

Info

ID:	32517
PubChem CID:	7840778
Reduced:	N2S2O5C17H20 (1)
Stoich.:	A2B2C5D17E20 (1)
Weight, g/mol:	341.119399
ΔH_f, kcal/mol:	-173.73
Dipole, Da:	4.74
IP(EA), eV:	-8.98(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 3-cyclohexylpropanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NCCN2C(=O)CSC2=S

DOS

IR

Vibrations