Geometry & MOs

Info

ID:	432138
PubChem CID:	135172270
Reduced:	SO2N4C22H32 (1)
Stoich.:	AB2C4D22E32 (1)
Weight, g/mol:	499.261711
ΔH_f, kcal/mol:	-53.42
Dipole, Da:	8.7
IP(EA), eV:	-8.72(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)CC(=O)O)NC3=NN=CS3

DOS

IR

Vibrations