Geometry & MOs

Info

ID:	33516
PubChem CID:	7886799
Reduced:	ClN2O2S2H15C18 (1)
Stoich.:	AB2C2D2E15F18 (1)
Weight, g/mol:	350.087118
ΔH_f, kcal/mol:	-11.7
Dipole, Da:	4.39
IP(EA), eV:	-8.65(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-carbamoyl-3-methyl-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)butanamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=NC=N3)SCC4=CC(=CC5=C4OCOC5)Cl

DOS

IR

Vibrations