Geometry & MOs

Info

ID:	418539
PubChem CID:	135105634
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	669.31962
ΔH_f, kcal/mol:	-3.58
Dipole, Da:	6.88
IP(EA), eV:	-8.57(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S,8S)-14-(5-acetylthiophene-2-carbonyl)-5-[(4-methoxyphenyl)methyl]-7,8-dimethyl-2-(2-methylpropyl)-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1C)NCCC2=NC=CN2)C(=O)N

DOS

IR

Vibrations