Geometry & MOs

Info

ID:	162191
PubChem CID:	57393895
Reduced:	OSBr2N3H11C14 (1)
Stoich.:	ABC2D3E11F14 (1)
Weight, g/mol:	347.158886
ΔH_f, kcal/mol:	30.09
Dipole, Da:	2.84
IP(EA), eV:	-9.31(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-ethyl-2-(3-formylpentan-3-yldisulfanyl)butylidene]amino]acetate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)N2C(SCC2=O)C3=C(C=NC=C3Br)Br

DOS

IR

Vibrations