Geometry & MOs

Info

ID:	160056
PubChem CID:	57304516
Reduced:	FIN2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	466.064859
ΔH_f, kcal/mol:	-16.34
Dipole, Da:	3.86
IP(EA), eV:	-8.52(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-[2-[(2-amino-3-chloropyridin-4-yl)amino]ethyl]-2-oxopyrrolidin-3-yl]thieno[3,2-b]pyridine-2-sulfonamide

Drug info:

PubChemData

Smile

CCC(N)N1CCC2=CC(=C(C=C21)I)F

DOS

IR

Vibrations