Geometry & MOs

Info

ID:	432050
PubChem CID:	135172182
Reduced:	O4N5C28H43 (1)
Stoich.:	A4B5C28D43 (1)
Weight, g/mol:	501.277361
ΔH_f, kcal/mol:	-124.67
Dipole, Da:	8.2
IP(EA), eV:	-8.67(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2[C@H]3C2CCC(CC3)(C)OC)NC4=NNC(=N4)COC

DOS

IR

Vibrations