Geometry & MOs

Info

ID:	161549
PubChem CID:	57391956
Reduced:	SN3O6C27H35 (1)
Stoich.:	AB3C6D27E35 (1)
Weight, g/mol:	412.095374
ΔH_f, kcal/mol:	-203.88
Dipole, Da:	5.66
IP(EA), eV:	-9.52(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)NN(CC1=CC=CC=C1)C(=O)/C=C/S(=O)(=O)C2=CC=CC=C2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations