Geometry & MOs

Info

ID:	57657
PubChem CID:	22430755
Reduced:	O3N4C16H18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	257.029269
ΔH_f, kcal/mol:	-21.5
Dipole, Da:	10.38
IP(EA), eV:	-9.13(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC=C1C2C=C(N=C3N2NC=N3)C(=O)O

DOS

IR

Vibrations