Geometry & MOs

Info

ID:	33125
PubChem CID:	7885016
Reduced:	N3O5C17H19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	414.179087
ΔH_f, kcal/mol:	-142.09
Dipole, Da:	8.25
IP(EA), eV:	-9.41(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-[2-[(3,4-dimethylbenzoyl)amino]acetyl]oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=NOC(=C2)C)C

DOS

IR

Vibrations