Geometry & MOs

Info

ID:	70249
PubChem CID:	48409728
Reduced:	SO3N5C18H25 (1)
Stoich.:	AB3C5D18E25 (1)
Weight, g/mol:	357.168856
ΔH_f, kcal/mol:	-57.24
Dipole, Da:	8.25
IP(EA), eV:	-9.1(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCOC)C)CNC(=O)CC2=CSC(=N2)NC(=O)C3CC3

DOS

IR

Vibrations