Geometry & MOs

Info

ID:	432031
PubChem CID:	135172163
Reduced:	NOSC7H9 (1)
Stoich.:	ABCD7E9 (1)
Weight, g/mol:	508.22749
ΔH_f, kcal/mol:	-17.19
Dipole, Da:	6.58
IP(EA), eV:	-9.71(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-[3-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-4-[(4-methoxycyclohexyl)-(2-methylbutyl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

C1CCSC(=O)[C@H](C1)C#N

DOS

IR

Vibrations