Geometry & MOs

Info

ID:	33529
PubChem CID:	7886841
Reduced:	FN3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	401.103183
ΔH_f, kcal/mol:	-99.65
Dipole, Da:	2.59
IP(EA), eV:	-9.3(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-(4-fluorophenyl)ethyl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)propanamide

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)F)C(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

DOS

IR

Vibrations