Geometry & MOs

Info

ID:	307416
PubChem CID:	125299856
Reduced:	O3N4H20C22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	388.156912
ΔH_f, kcal/mol:	32.45
Dipole, Da:	4.36
IP(EA), eV:	-8.8(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[2-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-6-oxo-5H-pyrimidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C3[C@@H](C(=C(O[C@H]3N=N2)N)C#N)C4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations