Geometry & MOs

Info

ID:	176728
PubChem CID:	76089262
Reduced:	NO3C9H11 (2)
Stoich.:	AB3C9D11 (2)
Weight, g/mol:	572.194085
ΔH_f, kcal/mol:	-245.56
Dipole, Da:	5.0
IP(EA), eV:	-9.11(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-N-[4-methyl-1-[[1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxoazepan-4-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)CCC(C(=O)OCC)NC1=NC2=CC=CC(=C2C(=O)O1)C

DOS

IR

Vibrations