Geometry & MOs

Info

ID:	421743
PubChem CID:	135116525
Reduced:	N3C10H14 (2)
Stoich.:	A3B10C14 (2)
Weight, g/mol:	628.300933
ΔH_f, kcal/mol:	89.73
Dipole, Da:	7.28
IP(EA), eV:	-8.59(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9S,12S,15R)-9-benzyl-3-methyl-7-(5-phenyl-1,2-oxazole-3-carbonyl)-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,11,14-tetrone

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCN(C)C)CC2=CC=CC(=C2)CN3C=CC=N3

DOS

IR

Vibrations