Geometry & MOs

Info

ID:	324370
PubChem CID:	126677529
Reduced:	N2O5C26H32 (1)
Stoich.:	A2B5C26D32 (1)
Weight, g/mol:	580.173152
ΔH_f, kcal/mol:	-191.05
Dipole, Da:	2.72
IP(EA), eV:	-8.87(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-[(3S)-6-ethyl-6-hydroxy-1-azatricyclo[3.2.2.02,4]nonan-3-yl]quinolin-6-yl]thiourea

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC[C@H](C(C1)COC2=CC3=C(CNC3=O)C=C2)C4=CC=C(C=C4)OC

DOS

IR

Vibrations