Geometry & MOs

Info

ID:	420065
PubChem CID:	135110976
Reduced:	NO4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	632.368619
ΔH_f, kcal/mol:	-169.13
Dipole, Da:	4.04
IP(EA), eV:	-9.37(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R,8R)-2-benzyl-14-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-5-methyl-8-propan-2-yl-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)O)C(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O

DOS

IR

Vibrations