Geometry & MOs

Info

ID:	431764
PubChem CID:	135171868
Reduced:	SO3N4C24H34 (1)
Stoich.:	AB3C4D24E34 (1)
Weight, g/mol:	469.294057
ΔH_f, kcal/mol:	-67.77
Dipole, Da:	6.91
IP(EA), eV:	-8.72(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-[3-[[6-(methoxymethyl)pyridin-3-yl]amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)NC3=NN=C(S3)C4CC4

DOS

IR

Vibrations