Geometry & MOs

Info

ID:	133613
PubChem CID:	51562479
Reduced:	PO3N4C9H10 (1)
Stoich.:	AB3C4D9E10 (1)
Weight, g/mol:	333.181432
ΔH_f, kcal/mol:	-61.45
Dipole, Da:	5.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.815267
Charge, e:	-1

Chem-info

IUPAC name:

5-[4-(diethylcarbamoyl)anilino]-3,3-dimethyl-5-oxopentanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](NC2=NC=NN2)P(=O)(O)[O-]

DOS

IR

Vibrations