Geometry & MOs

Info

ID:	432120
PubChem CID:	135172252
Reduced:	N4O4C25H34 (1)
Stoich.:	A4B4C25D34 (1)
Weight, g/mol:	454.258006
ΔH_f, kcal/mol:	-145.01
Dipole, Da:	7.23
IP(EA), eV:	-8.72(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[3-[(5-carbamoylpyridin-2-yl)amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)NC3=CN=C(C=C3)C(=O)N

DOS

IR

Vibrations