Geometry & MOs

Info

ID:	414430
PubChem CID:	135087388
Reduced:	N3C10H14 (2)
Stoich.:	A3B10C14 (2)
Weight, g/mol:	646.29374
ΔH_f, kcal/mol:	89.49
Dipole, Da:	3.92
IP(EA), eV:	-8.68(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9S,12S,15R)-7-[3-(1,3-benzothiazol-2-yl)propanoyl]-9-benzyl-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

CC1=NC=C(N1)CN(CCN(C)C)CC2=CN(N=C2C3=CC=CC=C3)C

DOS

IR

Vibrations