Geometry & MOs

Info

ID:	390330
PubChem CID:	134998536
Reduced:	ClOPN2H18C21 (1)
Stoich.:	ABCD2E18F21 (1)
Weight, g/mol:	414.045556
ΔH_f, kcal/mol:	35.33
Dipole, Da:	4.74
IP(EA), eV:	-9.71(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2,4-dichlorophenyl)-N-diphenylphosphoryl-1-isocyanoethanamine

Drug info:

PubChemData

Smile

C[C@](C1=CC=CC=C1Cl)(NP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)[N+]#[C-]

DOS

IR

Vibrations