Geometry & MOs

Info

ID:	431637
PubChem CID:	135171733
Reduced:	NO4C15H27 (1)
Stoich.:	AB4C15D27 (1)
Weight, g/mol:	443.28964
ΔH_f, kcal/mol:	-205.75
Dipole, Da:	1.08
IP(EA), eV:	-9.9(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[4-[2-methylpropyl(oxan-4-yl)amino]-3-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCCC(C)(C)C(C(=O)OC)N=C

DOS

IR

Vibrations