Geometry & MOs

Info

ID:	403745
PubChem CID:	135061648
Reduced:	SO2N3C22H29 (1)
Stoich.:	AB2C3D22E29 (1)
Weight, g/mol:	393.114713
ΔH_f, kcal/mol:	-37.33
Dipole, Da:	6.31
IP(EA), eV:	-8.12(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CCCCCCCCCNC1=NC2=C(C=C1)N(C=C2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations