Geometry & MOs

Info

ID:	175925
PubChem CID:	75968789
Reduced:	ClNO4C16H16 (1)
Stoich.:	ABC4D16E16 (1)
Weight, g/mol:	426.247835
ΔH_f, kcal/mol:	-122.48
Dipole, Da:	6.65
IP(EA), eV:	-9.74(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-(2-acetamidopropanoylamino)-6-(2-methylbut-2-enoylamino)hexanoyl]amino]propanoate

Drug info:

PubChemData

Smile

C1=COC(=C1)CNC(CC(=O)O)C(=O)CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations