Geometry & MOs

Info

ID:	441321
PubChem CID:	135234116
Reduced:	SN2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	580.167494
ΔH_f, kcal/mol:	17.73
Dipole, Da:	0.86
IP(EA), eV:	-8.55(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(1S,3S)-3-[5-[[2-(5-ethoxypyridin-2-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(5-hydroxypyridin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC/C=C(\CC1=CC=CC=C1)/NC(=NC)SC(C)C

DOS

IR

Vibrations