Geometry & MOs

Info

ID:	188868
PubChem CID:	77776767
Reduced:	O4N5C19H27 (1)
Stoich.:	A4B5C19D27 (1)
Weight, g/mol:	483.103497
ΔH_f, kcal/mol:	-137.79
Dipole, Da:	1.27
IP(EA), eV:	-8.67(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-aminothieno[2,3-d]pyrimidin-6-yl)methyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)NC2=NCCCN2)C3=CC=C(C=C3)C(=O)NCC(C(=O)O)O

DOS

IR

Vibrations