Geometry & MOs

Info

ID:	427022
PubChem CID:	135155110
Reduced:	O3N6C25H32 (1)
Stoich.:	A3B6C25D32 (1)
Weight, g/mol:	627.1578
ΔH_f, kcal/mol:	-67.25
Dipole, Da:	6.74
IP(EA), eV:	-8.76(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(4-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-4-hexoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)[C@H]1COC(=O)N1C2=NC(=NC=C2)NC3CCN(CC3)CC4=CC=C(C=C4)NC(=O)C=C

DOS

IR

Vibrations