Geometry & MOs

Info

ID:	434674
PubChem CID:	135175467
Reduced:	BrOF2N2C13H15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	621.11085
ΔH_f, kcal/mol:	-122.46
Dipole, Da:	3.91
IP(EA), eV:	-9.5(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C(C(C2=CC=C(C=C2)Br)(F)F)N

DOS

IR

Vibrations