Geometry & MOs

Info

ID:	417077
PubChem CID:	135091281
Reduced:	N2O4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	622.347883
ΔH_f, kcal/mol:	-133.23
Dipole, Da:	6.76
IP(EA), eV:	-9.06(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[(2S,5R,8R)-2-benzyl-5-methyl-3,6,9,18-tetraoxo-8-propan-2-yl-1,4,7,10,14-pentazacyclooctadec-14-yl]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CCC1=NC(=C(O1)C(=O)N2CCC3(CC2)C4=C(CCO3)C=CC=C4OC)C

DOS

IR

Vibrations