Geometry & MOs

Info

ID:	170255
PubChem CID:	75213107
Reduced:	ClNO4C7H14 (1)
Stoich.:	ABC4D7E14 (1)
Weight, g/mol:	638.262816
ΔH_f, kcal/mol:	-210.83
Dipole, Da:	3.52
IP(EA), eV:	-9.72(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-methoxy-4-[3-[2-methoxy-4-[3-(4-methoxyphenyl)prop-2-enoylamino]phenoxy]propoxy]phenyl]-3-(4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=C(C(C(C(C1N)O)O)O)CO.Cl

DOS

IR

Vibrations