Geometry & MOs

Info

ID:	187596
PubChem CID:	77595684
Reduced:	BN2O4C17H27 (1)
Stoich.:	AB2C4D17E27 (1)
Weight, g/mol:	496.211982
ΔH_f, kcal/mol:	-236.81
Dipole, Da:	4.02
IP(EA), eV:	-9.26(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6,9a,11a-tetramethyl-7-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide

Drug info:

PubChemData

Smile

B(CCCC1CN(CC1C(=O)O)CC(CC2=CC=CC=C2)N)(O)O

DOS

IR

Vibrations