Geometry & MOs

Info

ID:

188678

PubChem CID:

77753093

Reduced:

ClOSN2C21H23 (1)

Stoich.:

ABCD2E21F23 (1)

Weight, g/mol:

626.220845

ΔHf, kcal/mol:

-0.71

Dipole, Da:

3.86

IP(EA), eV:

 -8.86(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[4-(N-[2-(3-chlorophenyl)-2-hydroxyethyl]anilino)-2-oxopyridin-3-ylidene]-7-methylidene-3H-benzimidazol-5-yl]piperidin-4-yl]-2-fluoroacetamide

Drug info:

PubChemData

Smile

CC1C(C2CCN1CC2)NC(=O)C3=CC=C(S3)C=CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations