Geometry & MOs

Info

ID:	34253
PubChem CID:	7890509
Reduced:	ClSN2O6C17H17 (1)
Stoich.:	ABC2D6E17F17 (1)
Weight, g/mol:	345.113171
ΔH_f, kcal/mol:	-207.37
Dipole, Da:	3.08
IP(EA), eV:	-9.12(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-tert-butylanilino)-2-oxoethyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

DOS

IR

Vibrations