Geometry & MOs

Info

ID:	193643
PubChem CID:	78418045
Reduced:	O5C11H16 (2)
Stoich.:	A5B11C16 (2)
Weight, g/mol:	430.246772
ΔH_f, kcal/mol:	-429.34
Dipole, Da:	3.37
IP(EA), eV:	-10.17(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(1-hydroxypropan-2-ylcarbamoyl)pent-4-enoylamino]-1-phenylpropyl] 2-methylpent-4-enoate

Drug info:

PubChemData

Smile

CC(=O)CCC(=O)OC1C(C(C(OC1OC)CO)OC(=O)CCC=C)OC(=O)CCC=C

DOS

IR

Vibrations