Geometry & MOs

Info

ID:	61525
PubChem CID:	26710229
Reduced:	ClSN4O4C22H23 (1)
Stoich.:	ABC4D4E22F23 (1)
Weight, g/mol:	365.093104
ΔH_f, kcal/mol:	-78.03
Dipole, Da:	7.53
IP(EA), eV:	-9.07(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2=CC=NN2CC3=CC(=CC=C3)Cl)S(=O)(=O)N4CCCC4

DOS

IR

Vibrations