Geometry & MOs

Info

ID:	158583
PubChem CID:	56464230
Reduced:	SO2N9C19H25 (1)
Stoich.:	AB2C9D19E25 (1)
Weight, g/mol:	379.169605
ΔH_f, kcal/mol:	12.13
Dipole, Da:	5.11
IP(EA), eV:	-8.78(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-methylphenyl)-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)NC3=C(C=CC(=C3)C)NC(=O)C

DOS

IR

Vibrations