Geometry & MOs

Info

ID:	446645
PubChem CID:	135276612
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	467.229288
ΔH_f, kcal/mol:	-111.6
Dipole, Da:	3.59
IP(EA), eV:	-9.46(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2-[2,2-dimethylpropyl-[(2-methylpropan-2-yl)oxy]phosphoryl]sulfanylethyl] 2,2-dimethyl-4-morpholin-4-ylbutanethioate

Drug info:

PubChemData

Smile

C1C[C@@H](NC1)[C@H](C(=O)OCC2=CC=CC=C2)O

DOS

IR

Vibrations