Geometry & MOs

Info

ID:	44251
PubChem CID:	10502220
Reduced:	O4C11H14 (2)
Stoich.:	A4B11C14 (2)
Weight, g/mol:	420.189651
ΔH_f, kcal/mol:	-316.54
Dipole, Da:	2.47
IP(EA), eV:	-9.3(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-4-(2-methoxy-2-oxoethyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazine-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1(CCC(=C)C2=C(C1)CC(CCC2=C)(C(=O)OC)C(=O)OC)C(=O)OC

DOS

IR

Vibrations