Geometry & MOs

Info

ID:	130294
PubChem CID:	51075529
Reduced:	SO2N3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-44.85
Dipole, Da:	3.28
IP(EA), eV:	-8.96(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[methyl-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]butanoate

Drug info:

PubChemData

Smile

CC12CCC(=O)N1C(CS2)C(=O)NC3=CC4=CC=CC=C4N=C3

DOS

IR

Vibrations