Geometry & MOs

Info

ID:	312466
PubChem CID:	126605494
Reduced:	ClF3O6N8C40H50 (1)
Stoich.:	AB3C6D8E40F50 (1)
Weight, g/mol:	209.92901
ΔH_f, kcal/mol:	-384.3
Dipole, Da:	9.1
IP(EA), eV:	-8.49(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-iodoacetamide

Drug info:

PubChemData

Smile

CC1CC(N(C1)C(=O)CNC(=O)OC)C2=NC(=C(N2)Cl)C3=CC=C(C=C3)C4=C(C=C(C=C4)NC(=O)N5CCN(CC5)C6CCN(CC6)C(=O)C(C)(C)C)OC(F)(F)F

DOS

IR

Vibrations