Geometry & MOs

Info

ID:	243177
PubChem CID:	99216540
Reduced:	FSO2N5C21H26 (1)
Stoich.:	ABC2D5E21F26 (1)
Weight, g/mol:	375.171355
ΔH_f, kcal/mol:	-62.7
Dipole, Da:	2.71
IP(EA), eV:	-8.74(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[acetyl(ethyl)amino]propyl]-1-(3-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCC[C@@H](C3)C(=O)NC4=NC=CS4)F

DOS

IR

Vibrations