Geometry & MOs

Info

ID:	441323
PubChem CID:	135234121
Reduced:	OSN5C24H39 (1)
Stoich.:	ABC5D24E39 (1)
Weight, g/mol:	702.193075
ΔH_f, kcal/mol:	-19.88
Dipole, Da:	4.91
IP(EA), eV:	-8.3(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(3,3-difluoroazetidin-1-yl)pyridin-2-yl]-N-[5-[(3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)pyridin-2-yl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide

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

C[C@H]1CCCC(C1)CSC(NC(=O)CC2=CC(=CC=C2)N3CCN(CC3)C)N(C)N=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

C[C@H]1CCCC(C1)CSC(NC(=O)CC2=CC(=CC=C2)N3CCN(CC3)C)N(C)N=C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):