Geometry & MOs

Info

ID:	158436
PubChem CID:	56463641
Reduced:	SO3N6C21H26 (1)
Stoich.:	AB3C6D21E26 (1)
Weight, g/mol:	433.247775
ΔH_f, kcal/mol:	14.63
Dipole, Da:	9.45
IP(EA), eV:	-8.99(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2=CC=C(C=C2)OC)SCC(=O)NC(C3=NC(=NO3)C4CC4)C(C)C

DOS

IR

Vibrations