Geometry & MOs

Info

ID:	234205
PubChem CID:	92297920
Reduced:	FSO4N6H27C28 (1)
Stoich.:	ABC4D6E27F28 (1)
Weight, g/mol:	530.207782
ΔH_f, kcal/mol:	-107.05
Dipole, Da:	4.27
IP(EA), eV:	-8.98(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(S)-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-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@H](OC1)CNC(=O)[C@@H](C2=CC3=C(C=C2)N=CC=C3)N(CC4=CC=C(C=C4)F)C(=O)C5=C(C(=NS5)C(=O)N)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

C1C[C@H](OC1)CNC(=O)[C@@H](C2=CC3=C(C=C2)N=CC=C3)N(CC4=CC=C(C=C4)F)C(=O)C5=C(C(=NS5)C(=O)N)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):