Geometry & MOs

Info

ID:	33356
PubChem CID:	7886062
Reduced:	ClSN2O2H15C17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	406.113333
ΔH_f, kcal/mol:	-24.22
Dipole, Da:	2.74
IP(EA), eV:	-8.62(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-carbamoyl-3-methyl-2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]butanamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=O)N(C=N3)CCOC4=CC=CC=C4Cl

DOS

IR

Vibrations