Geometry & MOs

Info

ID:	431933
PubChem CID:	135172060
Reduced:	SO2N3C29H39 (1)
Stoich.:	AB2C3D29E39 (1)
Weight, g/mol:	493.276299
ΔH_f, kcal/mol:	-64.37
Dipole, Da:	6.16
IP(EA), eV:	-8.56(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-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=N[C@@H](CS3)C4=CC=CC=C4

DOS

IR

Vibrations