Geometry & MOs

Info

ID:	38728
PubChem CID:	8137827
Reduced:	N2S2O5C15H22 (1)
Stoich.:	A2B2C5D15E22 (1)
Weight, g/mol:	284.127326
ΔH_f, kcal/mol:	-182.03
Dipole, Da:	9.17
IP(EA), eV:	-9.32(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)C)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CS2

DOS

IR

Vibrations