Geometry & MOs

Info

ID:	416394
PubChem CID:	135089407
Reduced:	ON2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	627.28684
ΔH_f, kcal/mol:	-16.37
Dipole, Da:	2.33
IP(EA), eV:	-8.65(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9S,12S,15R)-9-benzyl-7-[4-(difluoromethoxy)benzoyl]-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

CCC1=NC(=NC=C1C)N2C[C@H]([C@@H](C2)O)CC3=CC(=NO3)C

DOS

IR

Vibrations