Geometry & MOs

Info

ID:	431850
PubChem CID:	135171964
Reduced:	NOC11H18 (2)
Stoich.:	ABC11D18 (2)
Weight, g/mol:	478.216925
ΔH_f, kcal/mol:	-118.06
Dipole, Da:	3.37
IP(EA), eV:	-8.18(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-[3-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CC[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCCCC2)N

DOS

IR

Vibrations