Geometry & MOs

Info

ID:	33560
PubChem CID:	7886976
Reduced:	ClFOS2N3H13C17 (1)
Stoich.:	ABCD2E3F13G17 (1)
Weight, g/mol:	397.128255
ΔH_f, kcal/mol:	-15.46
Dipole, Da:	3.38
IP(EA), eV:	-8.98(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2S)-butan-2-yl]phenyl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)NC4=C(C=C(C=C4)Cl)F

DOS

IR

Vibrations