Geometry & MOs

Info

ID:	156943
PubChem CID:	56394929
Reduced:	SO5N6C22H26 (1)
Stoich.:	AB5C6D22E26 (1)
Weight, g/mol:	419.206973
ΔH_f, kcal/mol:	-86.45
Dipole, Da:	3.97
IP(EA), eV:	-8.98(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)NC4CCCC4)OC

DOS

IR

Vibrations