Geometry & MOs

Info

ID:	297756
PubChem CID:	117629237
Reduced:	S2F3N4O7C38H41 (1)
Stoich.:	A2B3C4D7E38F41 (1)
Weight, g/mol:	257.081871
ΔH_f, kcal/mol:	-343.28
Dipole, Da:	2.13
IP(EA), eV:	-9.02(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide

Drug info:

PubChemData

Smile

CC(C)(C)CCN([C@H](CO)C1=CC=C(S1)[C@H](C(F)(F)F)N(C(=O)[C@H](C(C2=CC=CC=C2)C3=CC=CC=C3)N)C(=O)OC)S(=O)(=O)C4=CC5=C(C=C4)OC=N5

DOS

IR

Vibrations