Geometry & MOs

Info

ID:	324372
PubChem CID:	126677532
Reduced:	OSN4F6H26C28 (1)
Stoich.:	ABC4D6E26F28 (1)
Weight, g/mol:	625.208294
ΔH_f, kcal/mol:	-265.12
Dipole, Da:	5.09
IP(EA), eV:	-9.0(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-1-[4-hydroxy-3-(5-methyl-2-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-3-[5-[2-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethyl]pyridin-2-yl]urea

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

CCC12CN3CCC1CC3[C@@H](O2)C4=C5C=C(C=CC5=NC=C4)NC(=S)NC6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

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

CCC12CN3CCC1CC3[C@@H](O2)C4=C5C=C(C=CC5=NC=C4)NC(=S)NC6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):