Geometry & MOs

Info

ID:	56350
PubChem CID:	17425147
Reduced:	NO2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	386.141262
ΔH_f, kcal/mol:	-49.49
Dipole, Da:	6.51
IP(EA), eV:	-8.44(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-1,3-thiazol-2-yl]-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)C2=CC=CC(=C2[N+](=O)[O-])C

DOS

IR

Vibrations