Geometry & MOs

Info

ID:	358558
PubChem CID:	127296154
Reduced:	O4N5C18H33 (1)
Stoich.:	A4B5C18D33 (1)
Weight, g/mol:	399.141676
ΔH_f, kcal/mol:	-199.0
Dipole, Da:	4.56
IP(EA), eV:	-8.71(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[[[4-(4-fluorophenyl)oxan-4-yl]amino]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

CC(C(C)N1CCOCC1)NC(=O)NCCC(=O)N2CCN(CC2)C(=O)C

DOS

IR

Vibrations