Geometry & MOs

Info

ID:	315782
PubChem CID:	126628766
Reduced:	NPC8H12 (1)
Stoich.:	ABC8D12 (1)
Weight, g/mol:	570.177868
ΔH_f, kcal/mol:	21.59
Dipole, Da:	2.03
IP(EA), eV:	-8.84(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl (3S)-1-[(2S)-2-[[(2S)-3-(2,2-dimethylpropoxy)-2-[[(E)-pent-3-enoyl]amino]propanoyl]amino]propanoyl]diazinane-3-carboxylate

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)P

DOS

IR

Vibrations