Geometry & MOs

Info

ID:	326830
PubChem CID:	126688307
Reduced:	O4N5C23H23 (1)
Stoich.:	A4B5C23D23 (1)
Weight, g/mol:	433.175004
ΔH_f, kcal/mol:	-67.3
Dipole, Da:	3.9
IP(EA), eV:	-8.76(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(CCO)N1C2=C(C=C(C=C2)N3CCCOC3=O)N=C1NC(=O)C4=CC=CC(=C4)C#N

DOS

IR

Vibrations