Geometry & MOs

Info

ID:	443190
PubChem CID:	135258046
Reduced:	OC11H22 (1)
Stoich.:	AB11C22 (1)
Weight, g/mol:	552.269633
ΔH_f, kcal/mol:	-86.17
Dipole, Da:	1.59
IP(EA), eV:	-9.52(2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3R)-1-[[(2S)-6-[2-cyanoprop-2-enoyl(methyl)amino]-1-[(4-methylphenyl)methylamino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC[C@@H]1CCCC(C1C)OC

DOS

IR

Vibrations