Geometry & MOs

Info

ID:	131633
PubChem CID:	51236845
Reduced:	OSN2C9H12 (2)
Stoich.:	ABC2D9E12 (2)
Weight, g/mol:	383.144967
ΔH_f, kcal/mol:	-32.68
Dipole, Da:	6.9
IP(EA), eV:	-8.53(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC1=NN=C(S1)SC(C)C(=O)C2=CC=C(C=C2)NC(=O)C(C)(C)C

DOS

IR

Vibrations