Geometry & MOs

Info

ID:	187907
PubChem CID:	77641940
Reduced:	IN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	534.133983
ΔH_f, kcal/mol:	-93.98
Dipole, Da:	5.43
IP(EA), eV:	-9.1(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-chloronaphthalen-2-yl)sulfonyl-[3-[1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN2CCC(C2I)NC(=O)O

DOS

IR

Vibrations