Geometry & MOs

Info

ID:	390331
PubChem CID:	134998539
Reduced:	OPCl2N2H17C21 (1)
Stoich.:	ABC2D2E17F21 (1)
Weight, g/mol:	391.108578
ΔH_f, kcal/mol:	24.55
Dipole, Da:	4.56
IP(EA), eV:	-9.79(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-diphenylphosphoryl-1-isocyano-1-(4-nitrophenyl)ethanamine

Drug info:

PubChemData

Smile

C[C@](C1=C(C=C(C=C1)Cl)Cl)(NP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)[N+]#[C-]

DOS

IR

Vibrations