Geometry & MOs

Info

ID:	10591
PubChem CID:	105098
Reduced:	O2N3S5C18H25 (1)
Stoich.:	A2B3C5D18E25 (1)
Weight, g/mol:	475.055033
ΔH_f, kcal/mol:	-29.56
Dipole, Da:	4.89
IP(EA), eV:	-8.24(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SCCO1)C(=O)NC2=CC=CC=C2.CN(C)C(=S)SSC(=S)N(C)C

DOS

IR

Vibrations