Geometry & MOs

Info

ID:	392380
PubChem CID:	135015057
Reduced:	O3C20H30 (1)
Stoich.:	A3B20C30 (1)
Weight, g/mol:	339.089203
ΔH_f, kcal/mol:	-101.51
Dipole, Da:	5.81
IP(EA), eV:	-9.64(0.62)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-[2-[[hydroxy(oxido)phosphinothioyl]amino]propanoyl-methylamino]propanoylamino]propanamide

Drug info:

PubChemData

Smile

CC/C=C\CC[C@@H]1C[C@H]2[C@@H]([C@H]1/C=C\C/C=C\CCCC(=O)O)O2

DOS

IR

Vibrations