Geometry & MOs

Info

ID:	126728
PubChem CID:	50975220
Reduced:	OS2N4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	322.146347
ΔH_f, kcal/mol:	14.39
Dipole, Da:	4.18
IP(EA), eV:	-9.44(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CCC(=O)NCC2=C(N=NS2)C(C)C

DOS

IR

Vibrations