Geometry & MOs

Info

ID:	221922
PubChem CID:	85292790
Reduced:	ClO2N4H15C21 (1)
Stoich.:	AB2C4D15E21 (1)
Weight, g/mol:	391.129708
ΔH_f, kcal/mol:	41.26
Dipole, Da:	7.97
IP(EA), eV:	-9.2(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(1-diphenoxyphosphorylethyl)butanediamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NN=C(C2=CC(=C(C(=C2)N)C#N)C3=CC=C(C=C3)Cl)C(=O)O

DOS

IR

Vibrations