Geometry & MOs

Info

ID:	69316
PubChem CID:	46530652
Reduced:	SO3N4C16H28 (1)
Stoich.:	AB3C4D16E28 (1)
Weight, g/mol:	438.172562
ΔH_f, kcal/mol:	-76.44
Dipole, Da:	5.86
IP(EA), eV:	-9.31(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dimethyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-pyrrol-1-ylthiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC#C)N1CCN(CC1)S(=O)(=O)N2CCCCCC2

DOS

IR

Vibrations