Geometry & MOs

Info

ID:	40821
PubChem CID:	8144753
Reduced:	O2N3C23H28 (1)
Stoich.:	A2B3C23D28 (1)
Weight, g/mol:	336.161997
ΔH_f, kcal/mol:	-25.57
Dipole, Da:	2.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757909
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)N(C(=O)N1)C[NH+]2CCC(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations