Geometry & MOs

Info

ID:	148305
PubChem CID:	53787967
Reduced:	N2O5C28H34 (1)
Stoich.:	A2B5C28D34 (1)
Weight, g/mol:	451.329774
ΔH_f, kcal/mol:	-202.69
Dipole, Da:	2.97
IP(EA), eV:	-9.37(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,3R)-4-oxo-3-prop-2-enyloxetan-2-yl]tridecan-2-yl (2S)-2-formamido-4-methylpentanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@H](C[C@@H]1C(=O)N2CC3=CC=CC=C3C[C@@H]2CC(=O)OC)C4=CC=CC=C4

DOS

IR

Vibrations