Geometry & MOs

Info

ID:	236859
PubChem CID:	92715115
Reduced:	ClOSF2N2H13C17 (1)
Stoich.:	ABCD2E2F13G17 (1)
Weight, g/mol:	470.184172
ΔH_f, kcal/mol:	-85.29
Dipole, Da:	7.32
IP(EA), eV:	-8.73(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate

Drug info:

PubChemData

Smile

C[C@@]12C[C@@H](C3=C(O1)C(=CC=C3)Cl)NC(=S)N2C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations