Geometry & MOs

Info

ID:	309585
PubChem CID:	126549581
Reduced:	NOC17H17 (2)
Stoich.:	ABC17D17 (2)
Weight, g/mol:	412.216221
ΔH_f, kcal/mol:	-0.15
Dipole, Da:	7.01
IP(EA), eV:	-8.33(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,8R,9S,10R,13S)-17-(cyclopropylmethyl)-8-fluoro-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-pyrrolidine]-2',4'-dione

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=C(C(=CC=C1)[C@H](C)NC(=O)C2=CC3=C(C=C2)N(C(=C3C)C)CC4=CC=C(C=C4)C5=CC=CC=C5)OC

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=C(C(=CC=C1)[C@H](C)NC(=O)C2=CC3=C(C=C2)N(C(=C3C)C)CC4=CC=C(C=C4)C5=CC=CC=C5)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):