Geometry & MOs

Info

ID:	172295
PubChem CID:	75491073
Reduced:	N4O6C31H36 (1)
Stoich.:	A4B6C31D36 (1)
Weight, g/mol:	468.132136
ΔH_f, kcal/mol:	-156.63
Dipole, Da:	8.23
IP(EA), eV:	-8.16(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCCC(=O)NCC4=CC=CC=N4)OC)OC)OC

DOS

IR

Vibrations