Geometry & MOs

Info

ID:	191868
PubChem CID:	78195720
Reduced:	BClN4O4C36H44 (1)
Stoich.:	ABC4D4E36F44 (1)
Weight, g/mol:	359.134518
ΔH_f, kcal/mol:	-179.34
Dipole, Da:	4.92
IP(EA), eV:	-8.48(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-acetamido-2,3,4,6-tetrahydroxyhexyl) diethyl phosphate

Drug info:

PubChemData

Smile

B1(OC2CC3CC(C3(C)C)C2(O1)C)C(CC=C)NC(=O)C4CC(C5=C(N=C(C(=O)N45)NC)Cl)CCCC6=CC=CC7=CC=CC=C76

DOS

IR

Vibrations