Geometry & MOs

Info

ID:	172048
PubChem CID:	75459325
Reduced:	O5N8C21H22 (1)
Stoich.:	A5B8C21D22 (1)
Weight, g/mol:	469.079893
ΔH_f, kcal/mol:	69.11
Dipole, Da:	5.85
IP(EA), eV:	-8.82(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphinothioyl]-2-methoxy-N-(2-methoxyethyl)ethanamine

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C\1CC(=C(/C1=C/C2=CC(=CC=C2)[N+](=O)[O-])N3CCOCC3)/C=N/NC4=NC=NC(=C4[N+](=O)[O-])N

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C\1CC(=C(/C1=C/C2=CC(=CC=C2)[N+](=O)[O-])N3CCOCC3)/C=N/NC4=NC=NC(=C4[N+](=O)[O-])N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):