Geometry & MOs

Info

ID:	290757
PubChem CID:	110067583
Reduced:	O3N5C29H37 (1)
Stoich.:	A3B5C29D37 (1)
Weight, g/mol:	525.27399
ΔH_f, kcal/mol:	-59.21
Dipole, Da:	8.19
IP(EA), eV:	-9.11(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-benzyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-9-oxo-2-oxa-8,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-16-carboxamide

Drug info:

PubChemData

Smile

C1CCNC(=O)CN(CC2=C(C=C(C=C2)C(=O)NCCCCN3C=CN=C3)OCC1)CC4=CC=CC=C4

DOS

IR

Vibrations