Geometry & MOs

Info

ID:	179412
PubChem CID:	76479398
Reduced:	OSC14H30 (1)
Stoich.:	ABC14D30 (1)
Weight, g/mol:	445.261043
ΔH_f, kcal/mol:	-119.84
Dipole, Da:	2.41
IP(EA), eV:	-8.4(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(cyclohexylmethylsulfanyl)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-N,2-dihydroxy-5-methylhexanamide

Drug info:

PubChemData

Smile

CCC(C)C(C(C(C)CC)SC(C)(C)C)O

DOS

IR

Vibrations