Geometry & MOs

Info

ID:	135770
PubChem CID:	51933867
Reduced:	ClFNSO3H15C16 (1)
Stoich.:	ABCDE3F15G16 (1)
Weight, g/mol:	359.155515
ΔH_f, kcal/mol:	-141.95
Dipole, Da:	2.01
IP(EA), eV:	-9.11(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(4-tert-butylphenyl)methylsulfonyl]-N-phenylpropanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1)S(=O)(=O)CC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations