Geometry & MOs

Info

ID:	441292
PubChem CID:	135233989
Reduced:	INO4C17H32 (1)
Stoich.:	ABC4D17E32 (1)
Weight, g/mol:	416.145302
ΔH_f, kcal/mol:	-222.48
Dipole, Da:	0.54
IP(EA), eV:	-9.12(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]ethenyl N'-methyl-N-(2-pyridin-2-ylacetyl)carbamimidothioate

Drug info:

PubChemData

Smile

CCC(C)(CC(=O)OCCOC(=O)CC(CC)(C(C)C)I)NC

DOS

IR

Vibrations