Geometry & MOs

Info

ID:	414424
PubChem CID:	135087382
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	664.394833
ΔH_f, kcal/mol:	-67.64
Dipole, Da:	6.23
IP(EA), eV:	-8.42(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6S,9R,12R,15S)-6-benzyl-4,9-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclooctadec-15-yl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCOC23CCN(CC3)C4=CC=NC=C4)OC

DOS

IR

Vibrations