Geometry & MOs

Info

ID:	79225
PubChem CID:	49747541
Reduced:	SN3O4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	432.157974
ΔH_f, kcal/mol:	-18.54
Dipole, Da:	4.93
IP(EA), eV:	-9.24(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide

Drug info:

PubChemData

Smile

C1COCCN1C(CNC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3

DOS

IR

Vibrations