Geometry & MOs

Info

ID:	434971
PubChem CID:	135176096
Reduced:	F2O2H14C15 (1)
Stoich.:	A2B2C14D15 (1)
Weight, g/mol:	765.18949
ΔH_f, kcal/mol:	-141.81
Dipole, Da:	5.03
IP(EA), eV:	-9.26(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[3-(4-bromo-3-methoxyphenyl)-2-[(6-cyclopentyloxynaphthalen-2-yl)sulfonylamino]-3,3-difluoropropanoyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(CO)(F)F

DOS

IR

Vibrations