Geometry & MOs

Info

ID:	122376
PubChem CID:	50804008
Reduced:	ClN3O4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	399.159434
ΔH_f, kcal/mol:	-98.33
Dipole, Da:	7.17
IP(EA), eV:	-9.26(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]amino]-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(N1)C)CCC(=O)NC2=CC(=NO2)C3=CC(=CC=C3)Cl)C

DOS

IR

Vibrations