Geometry & MOs

Info

ID:	30828
PubChem CID:	841978
Reduced:	NCl4H5C9 (1)
Stoich.:	AB4C5D9 (1)
Weight, g/mol:	295.099063
ΔH_f, kcal/mol:	31.56
Dipole, Da:	2.44
IP(EA), eV:	-9.56(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=NC=C(Cl)Cl)Cl)Cl

DOS

IR

Vibrations