Geometry & MOs

Info

ID:	146213
PubChem CID:	53651543
Reduced:	SSiN4O6C29H46 (1)
Stoich.:	ABC4D6E29F46 (1)
Weight, g/mol:	495.068941
ΔH_f, kcal/mol:	-266.68
Dipole, Da:	6.24
IP(EA), eV:	-8.6(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-3-propanoylphenyl)-4-methylthiophene-2-carboxamide

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=C2C(=C(C=C1OC)O[Si](C)(C)C(C)(C)C(C)C)CSC[C@H](NC(=O)CC[C@@H](COC2=O)CN)C3=NC(=NO3)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=C2C(=C(C=C1OC)O[Si](C)(C)C(C)(C)C(C)C)CSC[C@H](NC(=O)CC[C@@H](COC2=O)CN)C3=NC(=NO3)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):