Geometry & MOs

Info

ID:	236882
PubChem CID:	92715374
Reduced:	SO2N6C21H34 (1)
Stoich.:	AB2C6D21E34 (1)
Weight, g/mol:	446.152495
ΔH_f, kcal/mol:	-57.84
Dipole, Da:	3.38
IP(EA), eV:	-8.64(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[[5-(2,3-dimethyl-1H-indol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCCN(CCC)CCCNC(=O)[C@@H]1CCCN(C1)C2=NN3C(=O)C=C(N=C3S2)C

DOS

IR

Vibrations