Geometry & MOs

Info

ID:	130628
PubChem CID:	51091811
Reduced:	O2N6C17H18 (1)
Stoich.:	A2B6C17D18 (1)
Weight, g/mol:	338.075885
ΔH_f, kcal/mol:	27.6
Dipole, Da:	2.9
IP(EA), eV:	-9.49(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N-[[4-(methanesulfonamido)phenyl]methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=CC=N1)CNC(=O)C2=CC(=NC=C2)N3C=NC=N3

DOS

IR

Vibrations