Geometry & MOs

Info

ID:	304652
PubChem CID:	124766020
Reduced:	FN4O4C27H27 (1)
Stoich.:	AB4C4D27E27 (1)
Weight, g/mol:	490.201634
ΔH_f, kcal/mol:	-125.68
Dipole, Da:	2.58
IP(EA), eV:	-9.27(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,5R,6S,7R)-2-N-cyclohexyl-6-N-(2-fluorophenyl)-4-oxo-3-pyridin-3-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

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

C1CCC(CC1)NC(=O)[C@@H]2[C@]34C=C[C@@H](O3)[C@H]([C@@H]4C(=O)N2C5=CN=CC=C5)C(=O)NC6=CC=CC=C6F

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

C1CCC(CC1)NC(=O)[C@@H]2[C@]34C=C[C@@H](O3)[C@H]([C@@H]4C(=O)N2C5=CN=CC=C5)C(=O)NC6=CC=CC=C6F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):