Geometry & MOs

Info

ID:	434975
PubChem CID:	135176100
Reduced:	NF2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	653.192662
ΔH_f, kcal/mol:	-105.29
Dipole, Da:	4.04
IP(EA), eV:	-9.42(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3S)-3-aminopyrrolidin-1-yl]-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(C(C#N)O)(F)F

DOS

IR

Vibrations