Geometry & MOs

Info

ID:	139258
PubChem CID:	52499898
Reduced:	OSCl2N2C18H18 (1)
Stoich.:	ABC2D2E18F18 (1)
Weight, g/mol:	352.094906
ΔH_f, kcal/mol:	6.4
Dipole, Da:	4.86
IP(EA), eV:	-8.13(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-oxopropan-2-yl] N,N-diethylcarbamodithioate

Drug info:

PubChemData

Smile

C[C@]1(CC1(Cl)Cl)C(=O)NC2=CC=C(C=C2)N3CCC4=C(C3)C=CS4

DOS

IR

Vibrations