Geometry & MOs

Info

ID:	447096
PubChem CID:	135280268
Reduced:	P2N10O13C21H26 (1)
Stoich.:	A2B10C13D21E26 (1)
Weight, g/mol:	337.116152
ΔH_f, kcal/mol:	-533.47
Dipole, Da:	10.87
IP(EA), eV:	-9.32(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-3,4-diacetyloxyoxazinan-6-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC1(C2C(COP(=O)(OC3C(C(COP(=O)(O2)O)OC3N4C=NC5=C4NC(=NC5=O)N)O)O)OC1N6C=NC7=C(N=CN=C76)N)O

DOS

IR

Vibrations