Geometry & MOs

Info

ID:	402570
PubChem CID:	135056451
Reduced:	PC6O9H11 (1)
Stoich.:	AB6C9D11 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-334.21
Dipole, Da:	3.36
IP(EA), eV:	-10.57(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-butyl-N-phenyloxirane-2-carboxamide

Drug info:

PubChemData

Smile

C([C@@H](C(C(C(=O)COP(=O)([O-])[O-])O)O)O)O

DOS

IR

Vibrations