Geometry & MOs

Info

ID:	195101
PubChem CID:	78635752
Reduced:	N3O5H21C23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	420.168522
ΔH_f, kcal/mol:	-108.67
Dipole, Da:	6.39
IP(EA), eV:	-9.54(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=C(OC(=N3)C4=CC=CC=C4)C

DOS

IR

Vibrations