Geometry & MOs

Info

ID:	183864
PubChem CID:	77082998
Reduced:	ClNSO2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	257.119798
ΔH_f, kcal/mol:	-78.97
Dipole, Da:	3.04
IP(EA), eV:	-9.25(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

C1CCOC(C1)CNC(=O)C2=C(C=CS2)Cl

DOS

IR

Vibrations