Geometry & MOs

Info

ID:	156503
PubChem CID:	56370903
Reduced:	SO3N7C21H33 (1)
Stoich.:	AB3C7D21E33 (1)
Weight, g/mol:	386.157661
ΔH_f, kcal/mol:	-115.85
Dipole, Da:	5.76
IP(EA), eV:	-8.82(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)CSC3=NN=C(N3C)C(C)C)N

DOS

IR

Vibrations