Geometry & MOs

Info

ID:	42835
PubChem CID:	8150073
Reduced:	SO2N4C23H28 (1)
Stoich.:	AB2C4D23E28 (1)
Weight, g/mol:	427.216772
ΔH_f, kcal/mol:	-58.82
Dipole, Da:	2.84
IP(EA), eV:	-8.58(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-[2-(4-methylanilino)-2-oxoethyl]-[[6-methyl-5-[(2S)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@@H](C)N(C)CC(=O)NC4=CC=C(C=C4)C

DOS

IR

Vibrations