Geometry & MOs

Info

ID:	195846
PubChem CID:	78743113
Reduced:	BrFNO4H15C18 (1)
Stoich.:	ABCD4E15F18 (1)
Weight, g/mol:	400.166808
ΔH_f, kcal/mol:	-145.91
Dipole, Da:	7.52
IP(EA), eV:	-9.0(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C=CC(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations