Geometry & MOs

Info

ID:	407371
PubChem CID:	135079949
Reduced:	PN2O2S2C18H18 (1)
Stoich.:	AB2C2D2E18F18 (1)
Weight, g/mol:	337.144295
ΔH_f, kcal/mol:	29.19
Dipole, Da:	1.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.810891
Charge, e:	0

Chem-info

IUPAC name:

diethyl [(Z)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] phosphate

Drug info:

PubChemData

Smile

CCO/C(=C(\[N+]#N)/P1C=C(C(=C1C2=CC=C(S2)C3=CC=CS3)C)C)/O

DOS

IR

Vibrations