Geometry & MOs

Info

ID:	70908
PubChem CID:	48414031
Reduced:	ClSO2N4C17H21 (1)
Stoich.:	ABC2D4E17F21 (1)
Weight, g/mol:	316.153541
ΔH_f, kcal/mol:	-47.81
Dipole, Da:	4.92
IP(EA), eV:	-8.85(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations