Geometry & MOs

Info

ID:	188768
PubChem CID:	77763235
Reduced:	SSiO3N4C31H40 (1)
Stoich.:	ABC3D4E31F40 (1)
Weight, g/mol:	448.211055
ΔH_f, kcal/mol:	-106.65
Dipole, Da:	2.25
IP(EA), eV:	-8.71(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3-benzyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)-2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridin-3-yl] propan-2-yl carbonate

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

CC(C(CCOC1=CC=CC(=C1)C2=CSC(=N2)CC3=CC=CC=C3)C4=NC=C(N4)C(=O)N)O[Si](C)(C)C(C)(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

CC(C(CCOC1=CC=CC(=C1)C2=CSC(=N2)CC3=CC=CC=C3)C4=NC=C(N4)C(=O)N)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):