Geometry & MOs

Info

ID:	414500
PubChem CID:	135087459
Reduced:	SN2O3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	320.167083
ΔH_f, kcal/mol:	-82.58
Dipole, Da:	3.66
IP(EA), eV:	-9.42(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-3-ylpropanamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N[C@H]1COC[C@H]1CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations