Geometry & MOs

Info

ID:	40818
PubChem CID:	8144749
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	336.161997
ΔH_f, kcal/mol:	-91.03
Dipole, Da:	1.67
IP(EA), eV:	-8.9(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[[6-methyl-5-[(2R)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylamino]acetamide

Drug info:

PubChemData

Smile

C1CCCC2(CC1)C(=O)N(C(=O)N2)CN3CCC(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations