Geometry & MOs

Info

ID:	56896
PubChem CID:	22394784
Reduced:	N3S3O6C18H25 (1)
Stoich.:	A3B3C6D18E25 (1)
Weight, g/mol:	422.126006
ΔH_f, kcal/mol:	-216.2
Dipole, Da:	8.62
IP(EA), eV:	-8.8(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyano-3,4-dihydroxy-1-phenylpentan-2-yl)-2-[methyl(methylsulfonyl)amino]-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations