Geometry & MOs

Info

ID:	43231
PubChem CID:	10319998
Reduced:	N3O3F4H15C20 (1)
Stoich.:	A3B3C4D15E20 (1)
Weight, g/mol:	421.130757
ΔH_f, kcal/mol:	-228.07
Dipole, Da:	13.46
IP(EA), eV:	-9.14(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-quinolin-8-ylsulfonylpiperazine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)F)F)N

DOS

IR

Vibrations