Geometry & MOs

Info

ID:	168606
PubChem CID:	74994238
Reduced:	ClN2O2H17C18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	693.322991
ΔH_f, kcal/mol:	-2.75
Dipole, Da:	8.63
IP(EA), eV:	-9.16(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-aminothiophen-3-yl)-1-[(1-cyclohexyl-3,5-dihydroxyheptan-2-yl)amino]-1-oxopropan-2-yl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(=C3C=CC(=CC3=NC2=O)Cl)OCCCN

DOS

IR

Vibrations