Geometry & MOs

Info

ID:	448876
PubChem CID:	135294199
Reduced:	PO2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	154.000608
ΔH_f, kcal/mol:	-62.0
Dipole, Da:	6.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754051
Charge, e:	0

Chem-info

IUPAC name:

4-(phosphanylmethylidene)cyclohexa-2,5-diene-1-thione

Drug info:

PubChemData

Smile

CC[P+](=O)C(C)(C)C(=O)/C(=C/C=C)/C=C\C

DOS

IR

Vibrations