Geometry & MOs

Info

ID:	151214
PubChem CID:	53790914
Reduced:	O4N9C21H27 (1)
Stoich.:	A4B9C21D27 (1)
Weight, g/mol:	400.16509
ΔH_f, kcal/mol:	-38.58
Dipole, Da:	3.59
IP(EA), eV:	-8.48(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-benzyl 1-O-tert-butyl 2-diethoxyphosphorylbutanedioate

Drug info:

PubChemData

Smile

CNN1C=CC=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=NO)N)C)C

DOS

IR

Vibrations