Geometry & MOs

Info

ID:	33506
PubChem CID:	7886775
Reduced:	OF2N2S2H14C18 (1)
Stoich.:	AB2C2D2E14F18 (1)
Weight, g/mol:	376.051562
ΔH_f, kcal/mol:	-50.99
Dipole, Da:	3.01
IP(EA), eV:	-8.84(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(3,4-difluorophenyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)propan-1-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C1=CC(=C(C=C1)F)F)SC2=NC=NC3=C2C4=C(S3)CCC4

DOS

IR

Vibrations