Geometry & MOs

Info

ID:

326891

PubChem CID:

126688576

Reduced:

N12O21C64H88 (1)

Stoich.:

A12B21C64D88 (1)

Weight, g/mol:

511.203111

ΔHf, kcal/mol:

-886.32

Dipole, Da:

11.61

IP(EA), eV:

 -9.46(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1CN(CCN(CCN(CCN1CC(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)N[C@@H](CCCNC(=O)CCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

DOS

IR

Vibrations