Geometry & MOs

Info

ID:	388910
PubChem CID:	134990574
Reduced:	NI2O5H17C19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	482.03387
ΔH_f, kcal/mol:	-105.88
Dipole, Da:	3.03
IP(EA), eV:	-8.57(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-2-acetamido-3-[3-amino-5-iodo-4-(4-methoxyphenoxy)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)N/C(=C/C1=CC(=C(C(=C1)I)OC2=CC=C(C=C2)OC)I)/C(=O)OC

DOS

IR

Vibrations