Geometry & MOs

Info

ID:	131620
PubChem CID:	51236055
Reduced:	O2S2N5C12H15 (1)
Stoich.:	A2B2C5D12E15 (1)
Weight, g/mol:	303.140533
ΔH_f, kcal/mol:	43.42
Dipole, Da:	8.71
IP(EA), eV:	-8.54(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-N-propylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)C(C)SC2=NN=C(S2)NCC=C

DOS

IR

Vibrations