Geometry & MOs

Info

ID:	38022
PubChem CID:	8026445
Reduced:	NOSC21H21 (1)
Stoich.:	ABCD21E21 (1)
Weight, g/mol:	360.076634
ΔH_f, kcal/mol:	3.53
Dipole, Da:	4.29
IP(EA), eV:	-8.95(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1SCC(=O)N[C@H](C)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations