Geometry & MOs

Info

ID:	56918
PubChem CID:	22394879
Reduced:	S2N3O7C17H23 (1)
Stoich.:	A2B3C7D17E23 (1)
Weight, g/mol:	453.193357
ΔH_f, kcal/mol:	-255.38
Dipole, Da:	7.7
IP(EA), eV:	-8.84(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydroxy-1-phenylnonan-2-yl)-2-[methyl(methylsulfonyl)amino]-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

COCC(C(C(CC1=CC=C(C=C1)O)NC(=O)C2=CSC(=N2)NS(=O)(=O)C)O)O

DOS

IR

Vibrations