Geometry & MOs

Info

ID:

441319

PubChem CID:

135234107

Reduced:

OSN4C18H24 (1)

Stoich.:

ABC4D18E24 (1)

Weight, g/mol:

623.231257

ΔHf, kcal/mol:

2.04

Dipole, Da:

4.78

IP(EA), eV:

 -8.56(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(1S,3S)-3-[5-[1-[4-(3,3-difluoroazetidin-1-yl)phenyl]propan-2-ylamino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC(=C1)CC(=O)NC2=NN=C(S2)C3CCCCC3

DOS

IR

Vibrations