Geometry & MOs

Info

ID:	65352
PubChem CID:	29214776
Reduced:	ON4C22H42 (1)
Stoich.:	AB4C22D42 (1)
Weight, g/mol:	341.134403
ΔH_f, kcal/mol:	-93.05
Dipole, Da:	4.02
IP(EA), eV:	-8.76(1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-1-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1-methylthiourea

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)N2C[C@H](C[C@H]2C(=O)NCC)NCC3CCCCC3

DOS

IR

Vibrations