Geometry & MOs

Info

ID:	41270
PubChem CID:	8145577
Reduced:	FO2N3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	410.226609
ΔH_f, kcal/mol:	-93.54
Dipole, Da:	3.33
IP(EA), eV:	-8.34(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methyl]azanium

Drug info:

PubChemData

Smile

C1CN(CCN1CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations