Geometry & MOs

Info

ID:	143345
PubChem CID:	53195671
Reduced:	SO2N5C21H27 (1)
Stoich.:	AB2C5D21E27 (1)
Weight, g/mol:	355.14331
ΔH_f, kcal/mol:	-11.13
Dipole, Da:	1.16
IP(EA), eV:	-8.36(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1SC(=N2)N(C)CC(=O)NC3CCCCC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations