Geometry & MOs

Info

ID:	322201
PubChem CID:	126669203
Reduced:	ON5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	542.99252
ΔH_f, kcal/mol:	66.65
Dipole, Da:	2.73
IP(EA), eV:	-8.94(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]phenyl]ethynyl thiohypoiodite

Drug info:

PubChemData

Smile

CCC(=O)N(C1CCN(CC1)CCC2=CC=C(C=C2)N=[N+]=[N-])C3=CC=CC=C3

DOS

IR

Vibrations