Geometry & MOs

Info

ID:	140661
PubChem CID:	52738530
Reduced:	SO3N5C23H35 (1)
Stoich.:	AB3C5D23E35 (1)
Weight, g/mol:	434.10052
ΔH_f, kcal/mol:	-128.34
Dipole, Da:	2.49
IP(EA), eV:	-9.23(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(3-bromophenyl)oxan-4-yl]amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NC2CCN(CC2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

DOS

IR

Vibrations