Geometry & MOs

Info

ID:	123380
PubChem CID:	50844833
Reduced:	SO2N7C17H17 (1)
Stoich.:	AB2C7D17E17 (1)
Weight, g/mol:	493.218132
ΔH_f, kcal/mol:	38.58
Dipole, Da:	9.41
IP(EA), eV:	-8.68(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpiperidin-1-yl)ethyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN2C(=O)N3C=NC4=C(C3=N2)SC(=N4)N(C)C

DOS

IR

Vibrations