Geometry & MOs

Info

ID:	149798
PubChem CID:	53789475
Reduced:	PN2O5C18H27 (1)
Stoich.:	AB2C5D18E27 (1)
Weight, g/mol:	267.031377
ΔH_f, kcal/mol:	-269.68
Dipole, Da:	6.38
IP(EA), eV:	-9.45(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1-amino-2-ethoxy-2-oxoethylidene)amino] 5-cyanothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCC[C@H]1C(=O)O)P(=O)(CCCCC2=CC=CC=C2)O

DOS

IR

Vibrations