Geometry & MOs

Info

ID:	426690
PubChem CID:	135153377
Reduced:	O3N4C25H32 (1)
Stoich.:	A3B4C25D32 (1)
Weight, g/mol:	468.234825
ΔH_f, kcal/mol:	-65.14
Dipole, Da:	5.12
IP(EA), eV:	-8.48(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[4-[2-methylpropyl(oxan-4-yl)amino]-3-[[5-(trifluoromethyl)-1H-imidazol-2-yl]amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C(C)CC(=O)O)NC3=CN=C(C=C3)C#N

DOS

IR

Vibrations