Geometry & MOs

Info

ID:	299372
PubChem CID:	117682748
Reduced:	ON2C8H16 (2)
Stoich.:	AB2C8D16 (2)
Weight, g/mol:	380.18035
ΔH_f, kcal/mol:	-90.11
Dipole, Da:	4.36
IP(EA), eV:	-9.11(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-N-[2-[2-[(4-methoxy-3-methylbutanoyl)amino]ethylsulfanyl]-2-sulfanylethyl]hexanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C)(C)N=NC(C)(C)C(=O)CCNCC

DOS

IR

Vibrations