Geometry & MOs

Info

ID:	445245
PubChem CID:	135265430
Reduced:	NO5H23C26 (1)
Stoich.:	AB5C23D26 (1)
Weight, g/mol:	424.163436
ΔH_f, kcal/mol:	-112.64
Dipole, Da:	7.2
IP(EA), eV:	-8.69(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]anilino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)N(C)C3=CC(=O)OC4=CC=CC=C43)OC

DOS

IR

Vibrations