Geometry & MOs

Info

ID:	421033
PubChem CID:	135115262
Reduced:	O5N6C33H48 (1)
Stoich.:	A5B6C33D48 (1)
Weight, g/mol:	395.16452
ΔH_f, kcal/mol:	-181.63
Dipole, Da:	4.45
IP(EA), eV:	-8.93(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)CC(C)C)CC3=CC=NC=C3

DOS

IR

Vibrations