Geometry & MOs

Info

ID:	185355
PubChem CID:	77288996
Reduced:	ClF3N3O4C37H39 (1)
Stoich.:	AB3C3D4E37F39 (1)
Weight, g/mol:	396.16066
ΔH_f, kcal/mol:	-238.98
Dipole, Da:	5.3
IP(EA), eV:	-9.13(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethylsulfanyl-5-hydroxy-6-methyl-4-phenylmethoxyoxan-3-yl) 4-oxopentanoate

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)C2=C(C3CNCC(C2)N3C(=O)CC(C)O)C(=O)N(CC4=CC=CC=C4Cl)C5CC5)OC6=C(C=CC(=C6F)F)F

DOS

IR

Vibrations