Geometry & MOs

Info

ID:	229867
PubChem CID:	87569392
Reduced:	OBr2N6H10C13 (1)
Stoich.:	AB2C6D10E13 (1)
Weight, g/mol:	537.236267
ΔH_f, kcal/mol:	72.4
Dipole, Da:	5.8
IP(EA), eV:	-9.24(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-3-(2,4-dimethoxyphenyl)-2-[4-[3-[ethyl-(2-methoxyphenoxy)amino]-2-hydroxypropoxy]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=NC(=NC2=NC=C(N=C21)C3=C(N=CC(=C3)Br)Br)N

DOS

IR

Vibrations