Geometry & MOs

Info

ID:	418992
PubChem CID:	135107286
Reduced:	ClN2O4C17H23 (1)
Stoich.:	AB2C4D17E23 (1)
Weight, g/mol:	570.251206
ΔH_f, kcal/mol:	-188.48
Dipole, Da:	7.14
IP(EA), eV:	-8.91(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-11-[2-(5-acetylthiophen-3-yl)acetyl]-2-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)C(=O)NC3=CC(=CC=C3)Cl)O

DOS

IR

Vibrations