Geometry & MOs

Info

ID:	434709
PubChem CID:	135175556
Reduced:	BrF2N3O3C18H24 (1)
Stoich.:	AB2C3D3E18F24 (1)
Weight, g/mol:	621.11085
ΔH_f, kcal/mol:	-237.65
Dipole, Da:	4.52
IP(EA), eV:	-9.71(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1CCN(C1)C(=O)C(C(C2=CC=C(C=C2)Br)(F)F)N

DOS

IR

Vibrations