Geometry & MOs

Info

ID:	123765
PubChem CID:	50861007
Reduced:	BrClSO2N3C26H27 (1)
Stoich.:	ABCD2E3F26G27 (1)
Weight, g/mol:	543.174726
ΔH_f, kcal/mol:	-49.33
Dipole, Da:	12.15
IP(EA), eV:	-8.64(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

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

CCN1C2=C(C=C(C(=C2)Cl)/C=C\3/C(=O)NC(=S)N(C3=O)C4=C(C=C(C=C4)Br)C)C(CC1(C)C)C

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

CCN1C2=C(C=C(C(=C2)Cl)/C=C\3/C(=O)NC(=S)N(C3=O)C4=C(C=C(C=C4)Br)C)C(CC1(C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):