Geometry & MOs

Info

ID:	15943
PubChem CID:	455726
Reduced:	N2O2C25H42 (1)
Stoich.:	A2B2C25D42 (1)
Weight, g/mol:	402.324629
ΔH_f, kcal/mol:	-125.16
Dipole, Da:	3.69
IP(EA), eV:	-9.09(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-9-decyl-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one

Drug info:

PubChemData

Smile

CCCCCCCCCCC1=CC2=C(C[C@H](NC(=O)[C@@H](N2C)C(C)C)CO)C=C1

DOS

IR

Vibrations