Geometry & MOs

Info

ID:	394712
PubChem CID:	135023601
Reduced:	SN2H12C20 (1)
Stoich.:	AB2C12D20 (1)
Weight, g/mol:	481.376724
ΔH_f, kcal/mol:	128.92
Dipole, Da:	3.85
IP(EA), eV:	-9.1(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(2S,3S)-3-decyl-4-oxooxetan-2-yl]nonan-2-yl] (2S)-2-formamido-3-methylbutanoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations