Geometry & MOs

Info

ID:	173225
PubChem CID:	75611612
Reduced:	N5O5C18H21 (1)
Stoich.:	A5B5C18D21 (1)
Weight, g/mol:	595.90939
ΔH_f, kcal/mol:	-134.13
Dipole, Da:	6.21
IP(EA), eV:	-10.06(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diiodo-6-[[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)C3=CC=C(C=C3)C)N=[N+]=[N-]

DOS

IR

Vibrations