Geometry & MOs

Info

ID:	194168
PubChem CID:	78493336
Reduced:	ClSN2O5C17H23 (1)
Stoich.:	ABC2D5E17F23 (1)
Weight, g/mol:	368.119464
ΔH_f, kcal/mol:	-212.02
Dipole, Da:	6.53
IP(EA), eV:	-8.95(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-2(6),8,10-trien-10-yl)methyl 2-phenylbutanoate

Drug info:

PubChemData

Smile

CCC(C)N(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)N

DOS

IR

Vibrations