Geometry & MOs

Info

ID:	328844
PubChem CID:	126728356
Reduced:	FSO2N6C25H27 (1)
Stoich.:	ABC2D6E25F27 (1)
Weight, g/mol:	214.168128
ΔH_f, kcal/mol:	-56.44
Dipole, Da:	5.36
IP(EA), eV:	-9.06(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-oct-4-en-3-yl] N-(2-aminoethyl)carbamate

Drug info:

PubChemData

Smile

CC[C@H](CC[C@@H](C)NC1=NC=CC(=N1)/C=C\2/C(=O)NC(=O)S2)NCC3=NC4=C(C=C3)C=C(C=C4)F

DOS

IR

Vibrations