Geometry & MOs

Info

ID:	44608
PubChem CID:	10504353
Reduced:	N3F4O5H15C21 (1)
Stoich.:	A3B4C5D15E21 (1)
Weight, g/mol:	464.155486
ΔH_f, kcal/mol:	-299.35
Dipole, Da:	5.34
IP(EA), eV:	-9.62(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 14-(benzenesulfonyl)-2,2-dichlorotetradecanoate

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=C(C=C2)C(F)(F)F)COC3=CC(=CC(=C3)CN4C(=O)NC(=O)O4)F

DOS

IR

Vibrations