Geometry & MOs

Info

ID:

326905

PubChem CID:

126688611

Reduced:

N15O26C64H109 (1)

Stoich.:

A15B26C64D109 (1)

Weight, g/mol:

455.176896

ΔHf, kcal/mol:

-1206.34

Dipole, Da:

16.16

IP(EA), eV:

 -8.85(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)benzimidazol-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCN(CCN(CCN1CC(=O)NCCCCC(C(=O)NC(CCCCNC(=O)CCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)NC(=O)CN2CCN(CCN(CCN(CC2)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

DOS

IR

Vibrations