Geometry & MOs

Info

ID:	32514
PubChem CID:	7840775
Reduced:	SN2O3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	377.137556
ΔH_f, kcal/mol:	-107.24
Dipole, Da:	4.22
IP(EA), eV:	-9.32(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 3-(4-methylphenoxy)propanoate

Drug info:

PubChemData

Smile

C1CCC(CC1)CCC(=O)OCC(=O)NC2=CC=CC=C2SCC#N

DOS

IR

Vibrations