Geometry & MOs

Info

ID:	368850
PubChem CID:	127330796
Reduced:	SO4N6C14H22 (1)
Stoich.:	AB4C6D14E22 (1)
Weight, g/mol:	333.151098
ΔH_f, kcal/mol:	-123.17
Dipole, Da:	6.65
IP(EA), eV:	-8.56(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2,3-dihydro-1-benzothiophen-3-ylcarbamoylamino)cyclohexyl]acetamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2CCC(C2=O)NC(=O)NCCN3CCCS3(=O)=O

DOS

IR

Vibrations