Geometry & MOs

Info

ID:	71398
PubChem CID:	48414789
Reduced:	SO3N4C20H26 (1)
Stoich.:	AB3C4D20E26 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-27.2
Dipole, Da:	5.41
IP(EA), eV:	-9.03(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 5-(4-but-3-ynylpiperazine-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCN(CC1)CCC#C)NC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations