Geometry & MOs

Info

ID:	232108
PubChem CID:	87575539
Reduced:	OSeH8C10 (1)
Stoich.:	ABC8D10 (1)
Weight, g/mol:	1345.360341
ΔH_f, kcal/mol:	-3.86
Dipole, Da:	3.39
IP(EA), eV:	-8.73(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-4-fluoroanilino)-6-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-7-methoxyquinazoline;4-(3-chloro-4-fluoroanilino)-6-[(3S)-oxolan-3-yl]oxy-1H-quinazolin-7-one;N-(3-chloro-4-fluorophenyl)-7-(2-methoxyethoxy)-6-(oxan-4-yloxy)quinazolin-4-amine

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

CC(=O)C1=CC2=C(C=C1)C=C[Se]2

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

CC(=O)C1=CC2=C(C=C1)C=C[Se]2

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):