Geometry & MOs

Info

ID:	71356
PubChem CID:	48414676
Reduced:	SN3O3C19H25 (1)
Stoich.:	AB3C3D19E25 (1)
Weight, g/mol:	336.158626
ΔH_f, kcal/mol:	-58.98
Dipole, Da:	4.09
IP(EA), eV:	-8.73(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-but-3-ynylpiperazine-1-carbonyl)-5-methyl-2-pyrrol-1-ylfuran-3-carbonitrile

Drug info:

PubChemData

Smile

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations