Geometry & MOs

Info

ID:	415071
PubChem CID:	135088057
Reduced:	NO3C22H29 (1)
Stoich.:	AB3C22D29 (1)
Weight, g/mol:	668.321
ΔH_f, kcal/mol:	-98.6
Dipole, Da:	3.48
IP(EA), eV:	-8.22(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-11-(5-ethoxy-2-phenyl-1-benzofuran-3-carbonyl)-2-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=CC=C(O2)CN(C)C3C[C@@H]4CC(C[C@@H]4C3)O

DOS

IR

Vibrations