Geometry & MOs

Info

ID:	423471
PubChem CID:	135119560
Reduced:	NO2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	515.310769
ΔH_f, kcal/mol:	-83.6
Dipole, Da:	5.5
IP(EA), eV:	-9.41(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R,8R)-2-benzyl-5-methyl-14-propanoyl-8-propan-2-yl-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

CC(C)(C#CC1=CC=C(O1)C(=O)N2C[C@H]([C@H](C2)O)CC3=CC=NC=C3)O

DOS

IR

Vibrations