Geometry & MOs

Info

ID:	36752
PubChem CID:	8012208
Reduced:	FOSN4C16H21 (1)
Stoich.:	ABCD4E16F21 (1)
Weight, g/mol:	410.106706
ΔH_f, kcal/mol:	-39.63
Dipole, Da:	7.65
IP(EA), eV:	-9.01(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

CCC[C@H](C)NC(=O)CSC1=NN=C(N1C)C2=CC=CC=C2F

DOS

IR

Vibrations