Geometry & MOs

Info

ID:	315717
PubChem CID:	126628613
Reduced:	O3C20H28 (2)
Stoich.:	A3B20C28 (2)
Weight, g/mol:	327.215806
ΔH_f, kcal/mol:	-307.18
Dipole, Da:	4.35
IP(EA), eV:	-8.99(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(2S)-2-[[(2S)-2-propan-2-ylpentanoyl]amino]propanoyl]diazinane-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)C(C)(C)C)C)OCC(=O)OC23CC4CC(C2)CC(C4)(C3)OC(=O)COC5=C(C=C(C=C5C)C(C)(C)C)CC

DOS

IR

Vibrations