Geometry & MOs

Info

ID:	65409
PubChem CID:	29214870
Reduced:	OSN9C22H29 (1)
Stoich.:	ABC9D22E29 (1)
Weight, g/mol:	353.177313
ΔH_f, kcal/mol:	96.99
Dipole, Da:	4.73
IP(EA), eV:	-8.47(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-1-methyl-1-[[2-(4-propoxyphenoxy)acetyl]amino]thiourea

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)/C=N\NC2=NN=C(N2N)SCC(=O)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations