Geometry & MOs

Info

ID:	217842
PubChem CID:	85088480
Reduced:	NSO9C16H23 (1)
Stoich.:	ABC9D16E23 (1)
Weight, g/mol:	405.189986
ΔH_f, kcal/mol:	-406.02
Dipole, Da:	5.37
IP(EA), eV:	-8.69(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[[formyl(hydroxy)amino]methyl]heptanoylamino]methyl]-7-methoxy-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(=S)NC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations