Geometry & MOs

Info

ID:	400984
PubChem CID:	135049616
Reduced:	PN2C30H53 (1)
Stoich.:	AB2C30D53 (1)
Weight, g/mol:	546.081219
ΔH_f, kcal/mol:	-11.42
Dipole, Da:	5.26
IP(EA), eV:	-7.44(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-1-[(1S)-2-tert-butyl-3-phenylphosphiren-1-yl]-3-phenylphosphirene;carbon monoxide;iron

Drug info:

PubChemData

Smile

CCC1=C([P@@]1(=NC2=C(C=C(C=C2C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)N(CC)CC

DOS

IR

Vibrations