Geometry & MOs

Info

ID:	40830
PubChem CID:	8144772
Reduced:	O2N3C27H29 (1)
Stoich.:	A2B3C27D29 (1)
Weight, g/mol:	348.071468
ΔH_f, kcal/mol:	-32.2
Dipole, Da:	1.5
IP(EA), eV:	-8.96(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[[(1S)-1-(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)N(C(=O)N1)CN2CCC(CC2)CC3=CC=CC=C3)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations