Geometry & MOs

Info

ID:	388815
PubChem CID:	134990305
Reduced:	SN6O8H36C40 (1)
Stoich.:	AB6C8D36E40 (1)
Weight, g/mol:	444.360345
ΔH_f, kcal/mol:	-118.42
Dipole, Da:	7.46
IP(EA), eV:	-9.2(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3-hexyl-4-[(2R)-2-phenylmethoxytridecyl]oxetan-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC(=O)OCCN2C(=NN=N2)SCC3=C(N4[C@@H]([C@H](C4=O)NC(=O)C5=CC=CC=C5)OC3)C(=O)OC(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations