Geometry & MOs

Info

ID:	431810
PubChem CID:	135171916
Reduced:	O3N4C29H38 (1)
Stoich.:	A3B4C29D38 (1)
Weight, g/mol:	485.232383
ΔH_f, kcal/mol:	-90.46
Dipole, Da:	3.82
IP(EA), eV:	-8.89(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[(4S)-4-(trifluoromethyl)-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](C(=O)N3)C4=CC=CC=C4

DOS

IR

Vibrations