Geometry & MOs

Info

ID:	161243
PubChem CID:	57391144
Reduced:	ON3C12H13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	512.962283
ΔH_f, kcal/mol:	32.85
Dipole, Da:	8.47
IP(EA), eV:	-8.16(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N,5-N-bis[(4-chlorophenyl)sulfonyl]pyridine-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1O)NC2=NC3=C(C=C(C=C3)N(C)C(=O)/C=C/CN(C)C)N4C2=CN=C4

DOS

IR

Vibrations