Geometry & MOs

Info

ID:	234178
PubChem CID:	92297873
Reduced:	BrClNH21C24 (1)
Stoich.:	ABCD21E24 (1)
Weight, g/mol:	539.228102
ΔH_f, kcal/mol:	79.06
Dipole, Da:	3.75
IP(EA), eV:	-8.21(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(R)-(1-cyclopentyltetrazol-5-yl)-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-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

C1C=C[C@H]2[C@H]1CN3[C@H]([C@H]4CC=C[C@@H]4C5=CC(=CC2=C53)Br)C6=CC=C(C=C6)Cl

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

C1C=C[C@H]2[C@H]1CN3[C@H]([C@H]4CC=C[C@@H]4C5=CC(=CC2=C53)Br)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):