Geometry & MOs

Info

ID:	138100
PubChem CID:	52314068
Reduced:	FN2O3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-136.39
Dipole, Da:	3.25
IP(EA), eV:	-9.27(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[(2S)-1-[[3-[[(2R)-2-methylbutanoyl]amino]phenyl]methylamino]-1-oxopropan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)[C@H](CNC(=O)NCC2=CC=C(C=C2)F)O

DOS

IR

Vibrations