Geometry & MOs

Info

ID:	56930
PubChem CID:	22394904
Reduced:	N3S3O5C19H27 (1)
Stoich.:	A3B3C5D19E27 (1)
Weight, g/mol:	473.129043
ΔH_f, kcal/mol:	-180.38
Dipole, Da:	7.8
IP(EA), eV:	-8.51(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3,4-dihydroxy-1-(4-hydroxyphenyl)-6-methylsulfanylhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations