Geometry & MOs

Info

ID:	219084
PubChem CID:	85090462
Reduced:	SiO8C29H44 (1)
Stoich.:	AB8C29D44 (1)
Weight, g/mol:	549.190672
ΔH_f, kcal/mol:	-357.22
Dipole, Da:	4.21
IP(EA), eV:	-9.01(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(5-cyanopyridin-2-yl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]oxamide

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(OC(C(O1)C2(C(CC3C(C2C=O)(CO3)OCC4=CC=CC=C4)O[Si](C)(C)C(C)(C)C)C)C(=O)OC)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

CC1(OC(C(O1)C2(C(CC3C(C2C=O)(CO3)OCC4=CC=CC=C4)O[Si](C)(C)C(C)(C)C)C)C(=O)OC)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):