Geometry & MOs

Info

ID:	65396
PubChem CID:	29214853
Reduced:	SO3N9C22H31 (1)
Stoich.:	AB3C9D22E31 (1)
Weight, g/mol:	313.101561
ΔH_f, kcal/mol:	15.23
Dipole, Da:	12.31
IP(EA), eV:	-8.75(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)/C=N\NC2=NN=C(N2N)SCCC(=O)NC3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations