Geometry & MOs

Info

ID:	56928
PubChem CID:	22394902
Reduced:	N3O5C27H35 (1)
Stoich.:	A3B5C27D35 (1)
Weight, g/mol:	468.113727
ΔH_f, kcal/mol:	-193.82
Dipole, Da:	8.08
IP(EA), eV:	-9.23(-0.99)
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-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations