Geometry & MOs

Info

ID:	393309
PubChem CID:	135020064
Reduced:	OC13H20 (1)
Stoich.:	AB13C20 (1)
Weight, g/mol:	583.22698
ΔH_f, kcal/mol:	-18.36
Dipole, Da:	2.97
IP(EA), eV:	-9.44(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamothioylamino]-phenylmethyl] dipropan-2-yl phosphate

Drug info:

PubChemData

Smile

CC1(CCCC=C1CC(C)(C#C)O)C

DOS

IR

Vibrations