Geometry & MOs

Info

ID:	138246
PubChem CID:	52333467
Reduced:	SN2O3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-104.62
Dipole, Da:	4.98
IP(EA), eV:	-9.23(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-pyrazol-1-ylbutanamide

Drug info:

PubChemData

Smile

CCC1=NC(=C(S1)C(=O)OCC(=O)N[C@H]2CCCC3=CC=CC=C23)C

DOS

IR

Vibrations