Geometry & MOs

Info

ID:	189054
PubChem CID:	77810062
Reduced:	NO7C34H57 (1)
Stoich.:	AB7C34D57 (1)
Weight, g/mol:	547.329774
ΔH_f, kcal/mol:	-384.64
Dipole, Da:	3.53
IP(EA), eV:	-9.78(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptadecyl 4-[amino-(2,4-dioxochromen-3-ylidene)methyl]benzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OCC(C(C(=O)C(C(C)C)NC(=O)OCC1=CC=CC=C1)O)O

DOS

IR

Vibrations