Geometry & MOs

Info

ID:	431855
PubChem CID:	135171969
Reduced:	O3N6C23H34 (1)
Stoich.:	A3B6C23D34 (1)
Weight, g/mol:	542.253847
ΔH_f, kcal/mol:	-63.97
Dipole, Da:	4.5
IP(EA), eV:	-8.2(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)NC3=N/C(=C\NC)/N=N3

DOS

IR

Vibrations