Geometry & MOs

Info

ID:	283746
PubChem CID:	104003423
Reduced:	N2O4C15H26 (1)
Stoich.:	A2B4C15D26 (1)
Weight, g/mol:	228.147393
ΔH_f, kcal/mol:	-204.34
Dipole, Da:	6.82
IP(EA), eV:	-9.77(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-(but-3-en-2-ylcarbamoylamino)-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1(C(CC1OC)NC(=O)NC2(CCCCC2)C(=O)O)C

DOS

IR

Vibrations