Geometry & MOs

Info

ID:	47042
PubChem CID:	10529130
Reduced:	NPSO7C23H26 (1)
Stoich.:	ABCD7E23F26 (1)
Weight, g/mol:	491.278407
ΔH_f, kcal/mol:	-299.57
Dipole, Da:	2.88
IP(EA), eV:	-9.04(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(tert-butylamino)-4-(3-ethoxy-5-methyl-1,2-oxazol-4-yl)-1-oxobutan-2-yl]-N-[(1S)-1-phenylethyl]benzamide

Drug info:

PubChemData

Smile

CCOP(=O)(C1=CC=C(C=C1)NC(=O)[C@H]2CC3=CC4=C(C=C3C(=O)[C@@H](S2)C)OCO4)OCC

DOS

IR

Vibrations