Geometry & MOs

Info

ID:	186451
PubChem CID:	77434973
Reduced:	BrO2N3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	349.218784
ΔH_f, kcal/mol:	-71.09
Dipole, Da:	1.95
IP(EA), eV:	-8.88(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-1-enyl N-[1-[(5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)methylamino]-1-oxobut-2-en-2-yl]ethanimidothioate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2CCC(C1C3=NC=C(N3)C4=CC=C(C=C4)Br)CC2

DOS

IR

Vibrations