Geometry & MOs

Info

ID:	420228
PubChem CID:	135111945
Reduced:	SO3N4C13H22 (1)
Stoich.:	AB3C4D13E22 (1)
Weight, g/mol:	415.179044
ΔH_f, kcal/mol:	-102.96
Dipole, Da:	3.35
IP(EA), eV:	-9.17(-0.27)
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-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)C

DOS

IR

Vibrations