Geometry & MOs

Info

ID:	131466
PubChem CID:	51209914
Reduced:	SO3N5C16H23 (1)
Stoich.:	AB3C5D16E23 (1)
Weight, g/mol:	397.160617
ΔH_f, kcal/mol:	-49.5
Dipole, Da:	3.6
IP(EA), eV:	-9.34(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SC(C)C(=O)NCC2=CC=CO2)N3CCOCC3

DOS

IR

Vibrations