Geometry & MOs

Info

ID:	193919
PubChem CID:	78456143
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	418.189257
ΔH_f, kcal/mol:	-133.3
Dipole, Da:	5.69
IP(EA), eV:	-9.21(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-acetylanilino)-1-oxopropan-2-yl] 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C(NC2=O)(C)CCC3=CC=CC=C3

DOS

IR

Vibrations