Geometry & MOs

Info

ID:	176677
PubChem CID:	76081869
Reduced:	SN2O3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	624.090405
ΔH_f, kcal/mol:	-106.06
Dipole, Da:	9.08
IP(EA), eV:	-8.65(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridin-2-yl]methyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CCC1CN(C(=O)O1)C2=CC3=C(C=C2)N(C(=O)S3)C

DOS

IR

Vibrations