Geometry & MOs

Info

ID:	56912
PubChem CID:	22394859
Reduced:	N2O5C28H40 (1)
Stoich.:	A2B5C28D40 (1)
Weight, g/mol:	452.13657
ΔH_f, kcal/mol:	-219.96
Dipole, Da:	3.35
IP(EA), eV:	-9.3(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[7-cyano-3,4-dihydroxy-1-(4-hydroxyphenyl)heptan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(C(CCOC)O)O)C

DOS

IR

Vibrations