Geometry & MOs

Info

ID:	419499
PubChem CID:	135108282
Reduced:	N5C18H21 (1)
Stoich.:	A5B18C21 (1)
Weight, g/mol:	635.331899
ΔH_f, kcal/mol:	123.57
Dipole, Da:	3.93
IP(EA), eV:	-9.12(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)N2C=CC=N2)CC3=CN=CN3C4CC4

DOS

IR

Vibrations