Geometry & MOs

Info

ID:	224062
PubChem CID:	85337726
Reduced:	N5O8C25H39 (1)
Stoich.:	A5B8C25D39 (1)
Weight, g/mol:	537.237604
ΔH_f, kcal/mol:	-365.82
Dipole, Da:	5.83
IP(EA), eV:	-9.38(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[4-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]carbamoyl]-1-bicyclo[3.3.1]nonanyl] acetate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(CO)C(=O)NCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)N

DOS

IR

Vibrations