Geometry & MOs

Info

ID:	47149
PubChem CID:	10529984
Reduced:	N4O6C27H44 (1)
Stoich.:	A4B6C27D44 (1)
Weight, g/mol:	520.318875
ΔH_f, kcal/mol:	-307.78
Dipole, Da:	10.05
IP(EA), eV:	-9.71(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-hydroxyphenyl)-4-oxochromen-7-yl] octadecanoate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)NCCCCCCNC(=O)OC(C)(C)C)NC(=O)CNC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations