Geometry & MOs

Info

ID:	441149
PubChem CID:	135233309
Reduced:	SC14H16 (1)
Stoich.:	AB14C16 (1)
Weight, g/mol:	582.272132
ΔH_f, kcal/mol:	29.43
Dipole, Da:	1.44
IP(EA), eV:	-8.51(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R)-2-[3-(5-chloro-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-2,2-dimethylpropyl]-3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxylate

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

CCCCC1=CC2=C(C=C1)SC(=C2)C=C

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

CCCCC1=CC2=C(C=C1)SC(=C2)C=C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):