Geometry & MOs

Info

ID:	432048
PubChem CID:	135172180
Reduced:	SC11H20 (1)
Stoich.:	AB11C20 (1)
Weight, g/mol:	487.261711
ΔH_f, kcal/mol:	-29.24
Dipole, Da:	2.53
IP(EA), eV:	-8.49(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[5-(dimethylcarbamoyl)-1,3,4-thiadiazol-2-yl]amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CCCCCC1CCCC(=C)S1

DOS

IR

Vibrations