Geometry & MOs

Info

ID:	65338
PubChem CID:	29214714
Reduced:	SO2N10C23H30 (1)
Stoich.:	AB2C10D23E30 (1)
Weight, g/mol:	445.106474
ΔH_f, kcal/mol:	53.0
Dipole, Da:	11.25
IP(EA), eV:	-8.51(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-1-methyl-1-[[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]thiourea

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)/C=N\NC2=NN=C(N2N)SCC(=O)NC3=CC(=CC=C3)N4CCCC4=O

DOS

IR

Vibrations