Geometry & MOs

Info

ID:	56932
PubChem CID:	22394907
Reduced:	SN2O5C28H40 (1)
Stoich.:	AB2C5D28E40 (1)
Weight, g/mol:	439.177707
ΔH_f, kcal/mol:	-220.72
Dipole, Da:	3.41
IP(EA), eV:	-8.35(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydroxy-1-phenyloctan-2-yl)-2-[methyl(methylsulfonyl)amino]-1,3-oxazole-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(CCSC)O)O)C

DOS

IR

Vibrations