Geometry & MOs

Info

ID:	189704
PubChem CID:	77892449
Reduced:	S2N5O5C21H25 (1)
Stoich.:	A2B5C5D21E25 (1)
Weight, g/mol:	487.109246
ΔH_f, kcal/mol:	-161.39
Dipole, Da:	7.73
IP(EA), eV:	-9.03(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-chloro-5-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-oxopropanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1S(=O)(=O)NC(C(=O)N)C(=O)N2CCC3=C(C2)SC(=N3)C)N4CCCC4=O

DOS

IR

Vibrations