Geometry & MOs

Info

ID:	312107
PubChem CID:	126603259
Reduced:	NO2C13H17 (2)
Stoich.:	AB2C13D17 (2)
Weight, g/mol:	654.17745
ΔH_f, kcal/mol:	-75.69
Dipole, Da:	4.23
IP(EA), eV:	-8.95(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 4-bromo-2-butoxy-3-[[(3E)-3-[(R)-butylsulfinyl]iminopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-fluoro-6-methylbenzoate

Drug info:

PubChemData

Smile

CC1CC2[C@@H](C3=C(C(C2(C(=C1)OC)C)C)C(=NO3)OCC4=CC=CC=C4)N5CCOCC5

DOS

IR

Vibrations