Geometry & MOs

Info

ID:	59562
PubChem CID:	24875305
Reduced:	SO3C18H30 (1)
Stoich.:	AB3C18D30 (1)
Weight, g/mol:	299.220892
ΔH_f, kcal/mol:	-160.27
Dipole, Da:	3.92
IP(EA), eV:	-9.28(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanamide

Drug info:

PubChemData

Smile

CCCCC/C=C\C[C@@H](/C=C/CC(=O)CCCCC(=O)O)S

DOS

IR

Vibrations