Geometry & MOs

Info

ID:	133210
PubChem CID:	51493772
Reduced:	OSN3C17H22 (1)
Stoich.:	ABC3D17E22 (1)
Weight, g/mol:	341.131031
ΔH_f, kcal/mol:	28.5
Dipole, Da:	4.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.923180
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C[NH+](CC2=NC3=CC=CC=C3N2)C[C@@H](C)O

DOS

IR

Vibrations