Geometry & MOs

Info

ID:	46794
PubChem CID:	10527389
Reduced:	NO8C23H29 (1)
Stoich.:	AB8C23D29 (1)
Weight, g/mol:	447.14806
ΔH_f, kcal/mol:	-323.28
Dipole, Da:	7.05
IP(EA), eV:	-9.88(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (Z)-2-diethoxyphosphoryl-3-[diethylamino(thiophen-2-yl)methyl]but-2-enedioate

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@@H]([C@H]2[C@@H]([C@@H]1OC(=O)[C@H](C3=CC=CC=C3)OC(=O)C)OC4(O2)CCCCC4)O

DOS

IR

Vibrations