Geometry & MOs

Info

ID:	309539
PubChem CID:	126547382
Reduced:	NC21H27 (1)
Stoich.:	AB21C27 (1)
Weight, g/mol:	399.225702
ΔH_f, kcal/mol:	52.39
Dipole, Da:	2.81
IP(EA), eV:	-7.89(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2S)-2-(3-hydroxy-2,3-dimethylpentoxy)propanoyl]amino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate

Drug info:

PubChemData

Smile

CC/C=C\C(=C/C=C)\C=C\C1=CC=C(C=C1)N2CCCCC2

DOS

IR

Vibrations