Geometry & MOs

Info

ID:	414719
PubChem CID:	135087678
Reduced:	FN3C15H20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	692.332233
ΔH_f, kcal/mol:	-6.12
Dipole, Da:	2.87
IP(EA), eV:	-8.94(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,9R,12S,15S,17R)-17-hydroxy-3-(1H-indol-3-ylmethyl)-12-methyl-9-phenyl-7-[(2S)-2-phenylbutanoyl]-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,11,14-tetrone

Drug info:

PubChemData

Smile

CCN1C=CN=C1CN(C)C(C)C2=CC=C(C=C2)F

DOS

IR

Vibrations