Geometry & MOs

Info

ID:	169991
PubChem CID:	75178689
Reduced:	BN5O5C32H36 (1)
Stoich.:	AB5C5D32E36 (1)
Weight, g/mol:	410.01274
ΔH_f, kcal/mol:	-204.17
Dipole, Da:	6.59
IP(EA), eV:	-8.97(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-N-[2-[(3-iodo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]benzamide

Drug info:

PubChemData

Smile

B(C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)C4=NC=CN=C4)(O)O

DOS

IR

Vibrations