Geometry & MOs

Info

ID:	70860
PubChem CID:	48413966
Reduced:	SN4O4C16H20 (1)
Stoich.:	AB4C4D16E20 (1)
Weight, g/mol:	338.13789
ΔH_f, kcal/mol:	-97.53
Dipole, Da:	5.52
IP(EA), eV:	-9.51(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations