Geometry & MOs

Info

ID:	46159
PubChem CID:	10522599
Reduced:	O2N3C22H23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	361.055484
ΔH_f, kcal/mol:	79.0
Dipole, Da:	6.74
IP(EA), eV:	-9.64(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenylacetic acid

Drug info:

PubChemData

Smile

CC1([C@@]2([C@H]3CCC[C@H]3[C@]1(N=N2)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)C

DOS

IR

Vibrations