Geometry & MOs

Info

ID:	132494
PubChem CID:	51370306
Reduced:	OSF2N2H24C31 (1)
Stoich.:	ABC2D2E24F31 (1)
Weight, g/mol:	626.105404
ΔH_f, kcal/mol:	-15.87
Dipole, Da:	2.89
IP(EA), eV:	-8.83(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,9E)-2-[(4-chlorophenyl)methylidene]-5-[4-(difluoromethoxy)phenyl]-9-[[4-(difluoromethoxy)phenyl]methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one

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

CC1=CC=CC=C1/C=C/2\C(=O)N3C(C4=C(/C(=C/C5=CC=C(C=C5)F)/CCC4)N=C3S2)C6=CC=C(C=C6)F

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

CC1=CC=CC=C1/C=C/2\C(=O)N3C(C4=C(/C(=C/C5=CC=C(C=C5)F)/CCC4)N=C3S2)C6=CC=C(C=C6)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):