Geometry & MOs

Info

ID:	125899
PubChem CID:	50942860
Reduced:	ClO3N6H11C14 (1)
Stoich.:	AB3C6D11E14 (1)
Weight, g/mol:	349.259409
ΔH_f, kcal/mol:	105.78
Dipole, Da:	2.59
IP(EA), eV:	-9.0(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,3S)-3-[[(2S)-4-methyl-1-oxo-1-[[3,4,4,4-tetradeuterio-3-(trideuteriomethyl)butyl]amino]pentan-2-yl]carbamoyl]oxirane-2-carboxylate

Drug info:

PubChemData

Smile

C1CC1C2=NN(C(=C2)N)C3=NC(=NC=C3Cl)C4=CC=C(O4)[N+](=O)[O-]

DOS

IR

Vibrations