Geometry & MOs

Info

ID:	431958
PubChem CID:	135172086
Reduced:	NOC17H33 (1)
Stoich.:	ABC17D33 (1)
Weight, g/mol:	528.238197
ΔH_f, kcal/mol:	-68.49
Dipole, Da:	2.88
IP(EA), eV:	-8.13(1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC=C)N(CC(C)C)C1CCC(CC1)OC

DOS

IR

Vibrations