Geometry & MOs

Info

ID:	308401
PubChem CID:	125326888
Reduced:	SO3N4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	-32.69
Dipole, Da:	4.47
IP(EA), eV:	-9.61(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-benzyl-2-[3-[(3S)-3,5-dimethyl-3H-pyrazol-4-yl]propanoylamino]-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C(=C(N=N1)C)CCC(=O)NC2=NC(=C(S2)CC3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations