Geometry & MOs

Info

ID:	206148
PubChem CID:	80212903
Reduced:	FNO2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	324.142698
ΔH_f, kcal/mol:	-146.5
Dipole, Da:	3.8
IP(EA), eV:	-9.13(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[cyclopentyl(3-methylbutyl)amino]benzenecarbothioamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)NCC2CCC(CC2)C(=O)O)F

DOS

IR

Vibrations