Geometry & MOs

Info

ID:	84090
PubChem CID:	49864090
Reduced:	N2O2H8C9 (2)
Stoich.:	A2B2C8D9 (2)
Weight, g/mol:	446.145417
ΔH_f, kcal/mol:	-39.16
Dipole, Da:	7.08
IP(EA), eV:	-9.22(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[[[(4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-(4-methylphenoxy)phosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)/C=C/C(=O)NO)C#N

DOS

IR

Vibrations