Geometry & MOs

Info

ID:	441338
PubChem CID:	135234199
Reduced:	OSN4C21H28 (1)
Stoich.:	ABC4D21E28 (1)
Weight, g/mol:	494.148256
ΔH_f, kcal/mol:	-3.81
Dipole, Da:	4.84
IP(EA), eV:	-9.07(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NN=C(S2)NC(=O)CC3=CC=C(C=C3)C4CCNCC4

DOS

IR

Vibrations