Geometry & MOs

Info

ID:	36563
PubChem CID:	8008942
Reduced:	FON2C23H23 (1)
Stoich.:	ABC2D23E23 (1)
Weight, g/mol:	322.189257
ΔH_f, kcal/mol:	-23.57
Dipole, Da:	3.65
IP(EA), eV:	-8.72(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1C2=CC=CC=C2)N(C)CC3=CC=CC=C3F

DOS

IR

Vibrations