Geometry & MOs

Info

ID:	328299
PubChem CID:	126700624
Reduced:	FSN4O4H35C36 (1)
Stoich.:	ABC4D4E35F36 (1)
Weight, g/mol:	453.147075
ΔH_f, kcal/mol:	-69.84
Dipole, Da:	4.65
IP(EA), eV:	-8.22(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-(6-hydroxy-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]carbamate

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

CCOC1=CC2=C3C(=C1)OCCCCN3C(=N2)C4=CC5=C(C(=C4)F)SC(=N5)N(CC6=CC=C(C=C6)OC)CC7=CC=C(C=C7)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

CCOC1=CC2=C3C(=C1)OCCCCN3C(=N2)C4=CC5=C(C(=C4)F)SC(=N5)N(CC6=CC=C(C=C6)OC)CC7=CC=C(C=C7)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):