Geometry & MOs

Info

ID:	131601
PubChem CID:	51233280
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	338.148656
ΔH_f, kcal/mol:	-90.79
Dipole, Da:	3.09
IP(EA), eV:	-8.9(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] N,N-diethylcarbamodithioate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)NCC(=O)N(C)CC2=CC=CC=C2N3CCCC3

DOS

IR

Vibrations