Geometry & MOs

Info

ID:	326456
PubChem CID:	126687595
Reduced:	N2O7C31H48 (1)
Stoich.:	A2B7C31D48 (1)
Weight, g/mol:	350.168916
ΔH_f, kcal/mol:	-288.46
Dipole, Da:	4.0
IP(EA), eV:	-9.49(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-oxo-1-[[(2R,3S,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)N[C@@H](C)C(=O)NC1[C@@H](OC([C@H](C1O)O)CO)O

DOS

IR

Vibrations