Geometry & MOs

Info

ID:	313061
PubChem CID:	126611526
Reduced:	N2S2O3C7H10 (1)
Stoich.:	A2B2C3D7E10 (1)
Weight, g/mol:	623.33527
ΔH_f, kcal/mol:	-33.51
Dipole, Da:	7.5
IP(EA), eV:	-8.99(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(1R,3R)-1-acetyloxy-1-(4-carbamoyl-1,3-thiazol-2-yl)-4-methylpentan-3-yl]-[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]methyl butanoate

Drug info:

PubChemData

Smile

C1=CNC(C(=C1)[N+](=O)[O-])SSCCO

DOS

IR

Vibrations