Geometry & MOs

Info

ID:	449734
PubChem CID:	135301040
Reduced:	SN2O4C20H32 (1)
Stoich.:	AB2C4D20E32 (1)
Weight, g/mol:	409.163771
ΔH_f, kcal/mol:	-220.08
Dipole, Da:	8.14
IP(EA), eV:	-8.54(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-3-[4-[(E)-3-amino-2-(methyliminomethyl)prop-2-enoxy]-3-methoxyphenyl]prop-2-enoyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CCCC(CC)(CO)C(=O)NC1=C(C2=C(S1)C(OC(C2)(C)C)(C)C)C(=O)N

DOS

IR

Vibrations