Geometry & MOs

Info

ID:	36143
PubChem CID:	7980812
Reduced:	N2O3H24C25 (1)
Stoich.:	A2B3C24D25 (1)
Weight, g/mol:	420.168522
ΔH_f, kcal/mol:	-60.98
Dipole, Da:	4.77
IP(EA), eV:	-8.74(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,5-dimethyl-4-[2-[2-(phenylcarbamoyl)phenoxy]acetyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C1C[C@@H](C2=CC=CC=C2C1)NC(=O)COC3=CC=CC=C3C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations