Geometry & MOs

Info

ID:	181700
PubChem CID:	76779591
Reduced:	SN5O5C26H29 (1)
Stoich.:	AB5C5D26E29 (1)
Weight, g/mol:	366.157957
ΔH_f, kcal/mol:	-117.75
Dipole, Da:	7.6
IP(EA), eV:	-9.61(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(hydroxycarbamoyl)phenyl]butyl]-3-methyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1OC2CC3CCC(C2)N3S(=O)(=O)C4=CC=C(C=C4)NC(=O)C)OC5=C(N=CC=C5)C

DOS

IR

Vibrations