Geometry & MOs

Info

ID:	37683
PubChem CID:	8023171
Reduced:	OSN4C21H26 (1)
Stoich.:	ABC4D21E26 (1)
Weight, g/mol:	349.055484
ΔH_f, kcal/mol:	19.54
Dipole, Da:	8.13
IP(EA), eV:	-8.25(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanothiophen-2-yl)-2-(2-methyl-N-methylsulfonylanilino)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC=NC(=C12)NC[C@H](C3=CC=CC=C3OC)N4CCCC4)C

DOS

IR

Vibrations