Geometry & MOs

Info

ID:	70328
PubChem CID:	48413195
Reduced:	BrSN2O2C15H19 (1)
Stoich.:	ABC2D2E15F19 (1)
Weight, g/mol:	324.125612
ΔH_f, kcal/mol:	-7.15
Dipole, Da:	5.58
IP(EA), eV:	-8.59(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-but-3-ynylpiperazin-1-yl)sulfonyl-1-methylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC#C)Br

DOS

IR

Vibrations