Geometry & MOs

Info

ID:	420181
PubChem CID:	135111702
Reduced:	O2N5C23H27 (1)
Stoich.:	A2B5C23D27 (1)
Weight, g/mol:	536.29987
ΔH_f, kcal/mol:	-18.31
Dipole, Da:	2.02
IP(EA), eV:	-9.23(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1O)C2=NC=NC(=C2)N[C@H]3COC[C@H]3CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations