Geometry & MOs

Info

ID:	68413
PubChem CID:	46508363
Reduced:	ClOSN2F3H16C17 (1)
Stoich.:	ABCD2E3F16G17 (1)
Weight, g/mol:	476.172956
ΔH_f, kcal/mol:	-165.47
Dipole, Da:	4.12
IP(EA), eV:	-9.01(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-(carbamoylamino)-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2CCC3=C(C2)C=CS3

DOS

IR

Vibrations