Geometry & MOs

Info

ID:	160244
PubChem CID:	57309590
Reduced:	NO3C21H39 (1)
Stoich.:	AB3C21D39 (1)
Weight, g/mol:	291.114044
ΔH_f, kcal/mol:	-204.63
Dipole, Da:	3.63
IP(EA), eV:	-9.72(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C=C)[C@H](C[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)O

DOS

IR

Vibrations