Geometry & MOs

Info

ID:	334112
PubChem CID:	127252664
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	493.1849
ΔH_f, kcal/mol:	-51.28
Dipole, Da:	6.4
IP(EA), eV:	-8.03(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-[(2Z)-6-hydroxy-2-(morpholin-4-ylmethylidene)-3-oxo-1-benzofuran-7-yl]propanoate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(C=C2)CCC(=O)NCCC3=CNC4=C3C=C(C=C4)OC

DOS

IR

Vibrations