Geometry & MOs

Info

ID:	188515
PubChem CID:	77726324
Reduced:	O3N6C24H26 (1)
Stoich.:	A3B6C24D26 (1)
Weight, g/mol:	307.136591
ΔH_f, kcal/mol:	-21.87
Dipole, Da:	1.39
IP(EA), eV:	-8.67(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoropyrrolidin-1-yl)-2-[(1-propan-2-ylsulfonylazetidin-3-yl)amino]ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4C(C(NN4)CN)C(=O)N

DOS

IR

Vibrations