Geometry & MOs

Info

ID:	122375
PubChem CID:	50804007
Reduced:	BrN2O3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	415.129884
ΔH_f, kcal/mol:	-117.19
Dipole, Da:	3.72
IP(EA), eV:	-9.09(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-[[3-(3-chlorophenyl)-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)NCC2=CC=CC=C2Br)C

DOS

IR

Vibrations