Geometry & MOs

Info

ID:	161530
PubChem CID:	57391914
Reduced:	ClSO3N5C18H18 (1)
Stoich.:	ABC3D5E18F18 (1)
Weight, g/mol:	398.079724
ΔH_f, kcal/mol:	-35.0
Dipole, Da:	5.69
IP(EA), eV:	-9.11(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-1-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)ethylideneamino]-2-methyl-5-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=S)[C@H]2C[C@@H]([C@H](O2)CO)N3C=C(N=N3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations