Geometry & MOs

Info

ID:	315995
PubChem CID:	126629589
Reduced:	N2O3C21H40 (1)
Stoich.:	A2B3C21D40 (1)
Weight, g/mol:	444.109788
ΔH_f, kcal/mol:	-223.19
Dipole, Da:	2.48
IP(EA), eV:	-9.68(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl (3S)-1-[(2S)-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]propanoyl]diazinane-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)C(=O)NCCCCCNC(=O)OC(C)(C)C)C(C)C

DOS

IR

Vibrations