Geometry & MOs

Info

ID:	422512
PubChem CID:	135117961
Reduced:	N5O5C20H23 (1)
Stoich.:	A5B5C20D23 (1)
Weight, g/mol:	392.185983
ΔH_f, kcal/mol:	-160.87
Dipole, Da:	6.41
IP(EA), eV:	-9.14(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(2-methylpropanoylamino)ethyl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(N=C1N3CC[C@]([C@H](C3)O)(CC4=CC=CC=C4)C(=O)O)N(C(=O)NC2=O)C

DOS

IR

Vibrations