Geometry & MOs

Info

ID:	417711
PubChem CID:	135102534
Reduced:	NSO6C16H23 (1)
Stoich.:	ABC6D16E23 (1)
Weight, g/mol:	326.087118
ΔH_f, kcal/mol:	-251.61
Dipole, Da:	9.22
IP(EA), eV:	-9.63(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)O

DOS

IR

Vibrations