Geometry & MOs

Info

ID:	65344
PubChem CID:	29214738
Reduced:	OSN9C21H29 (1)
Stoich.:	ABC9D21E29 (1)
Weight, g/mol:	313.126026
ΔH_f, kcal/mol:	97.99
Dipole, Da:	5.61
IP(EA), eV:	-8.44(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-1-[[2-(3-fluorophenoxy)acetyl]amino]-1-methylthiourea

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)/C=N\NC2=NN=C(N2N)SCCC(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations