Geometry & MOs

Info

ID:	65370
PubChem CID:	29214806
Reduced:	SO2N10C17H28 (1)
Stoich.:	AB2C10D17E28 (1)
Weight, g/mol:	316.072703
ΔH_f, kcal/mol:	41.11
Dipole, Da:	7.55
IP(EA), eV:	-8.85(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)/C=N\NC2=NN=C(N2N)SCC(=O)NNC(=O)C(C)C

DOS

IR

Vibrations